smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CNCc2cccc(Cl)c2Cl)cc1 ZINC000019995420 182175325 /nfs/dbraw/zinc/17/53/25/182175325.db2.gz IOYPASQOQFWCGT-UHFFFAOYSA-N 0 1 309.240 4.349 20 10 DICDMN CCN(C)c1ccc([C@@H](C)N[C@@H](CCOC)c2ccco2)cc1 ZINC000272485728 130034608 /nfs/dbraw/zinc/03/46/08/130034608.db2.gz BPXNCJMGIKXYGV-QAPCUYQASA-N 0 1 316.445 4.164 20 10 DICDMN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273393937 130116087 /nfs/dbraw/zinc/11/60/87/130116087.db2.gz LMDNVFFNTQMFHS-NEPJUHHUSA-N 0 1 305.805 4.466 20 10 DICDMN COc1cccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273393940 130116241 /nfs/dbraw/zinc/11/62/41/130116241.db2.gz LMDNVFFNTQMFHS-NWDGAFQWSA-N 0 1 305.805 4.466 20 10 DICDMN COc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273393944 130116320 /nfs/dbraw/zinc/11/63/20/130116320.db2.gz LMDNVFFNTQMFHS-RYUDHWBXSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1csc(C2(N[C@H](C)c3cc(F)ccc3O)CCC2)n1 ZINC000273520464 130132203 /nfs/dbraw/zinc/13/22/03/130132203.db2.gz UBJDYNHRMCQSBC-LLVKDONJSA-N 0 1 306.406 4.026 20 10 DICDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581520 130140372 /nfs/dbraw/zinc/14/03/72/130140372.db2.gz MSVFVMSTSCEVDJ-WMLDXEAASA-N 0 1 317.429 4.203 20 10 DICDMN CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581519 130140676 /nfs/dbraw/zinc/14/06/76/130140676.db2.gz MSVFVMSTSCEVDJ-RHSMWYFYSA-N 0 1 317.429 4.203 20 10 DICDMN C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc2ccccc2c1[O-] ZINC000273620028 130144928 /nfs/dbraw/zinc/14/49/28/130144928.db2.gz YTEQFEZUUFFZHL-HNNXBMFYSA-N 0 1 313.441 4.139 20 10 DICDMN CC[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccc(C)cc1O ZINC000285854644 131206631 /nfs/dbraw/zinc/20/66/31/131206631.db2.gz ZFUWQDOZEBQAKU-IAQYHMDHSA-N 0 1 306.356 4.176 20 10 DICDMN Cc1ccc([C@H](C)N[C@@H](C)c2nccn2-c2ccccc2)c(O)c1 ZINC000286888158 131254431 /nfs/dbraw/zinc/25/44/31/131254431.db2.gz CWFDUMPWBRNQML-HOTGVXAUSA-N 0 1 321.424 4.298 20 10 DICDMN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2nccn2-c2ccccc2)c1 ZINC000287197471 131268276 /nfs/dbraw/zinc/26/82/76/131268276.db2.gz WCYUZJJNPZURLV-HZPDHXFCSA-N 0 1 321.424 4.298 20 10 DICDMN Cc1ccc([C@H](C)NCc2cc(F)cnc2Cl)c(O)c1C ZINC000297309506 132008402 /nfs/dbraw/zinc/00/84/02/132008402.db2.gz MULYCRAUFYOYEM-NSHDSACASA-N 0 1 308.784 4.047 20 10 DICDMN Cc1ccc([C@@H](C)NCc2cc(F)cnc2Cl)c(O)c1C ZINC000297309502 132008804 /nfs/dbraw/zinc/00/88/04/132008804.db2.gz MULYCRAUFYOYEM-LLVKDONJSA-N 0 1 308.784 4.047 20 10 DICDMN CC(C)OCCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186529892 333374335 /nfs/dbraw/zinc/37/43/35/333374335.db2.gz DLTUKLYOYQKUNY-HNNXBMFYSA-N 0 1 301.430 4.401 20 10 DICDMN COc1ccc(O)c([C@H](C)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000192791325 336261890 /nfs/dbraw/zinc/26/18/90/336261890.db2.gz UGYPITVEXSZTAB-VBKZILBWSA-N 0 1 323.392 4.434 20 10 DICDMN C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000375345270 337008477 /nfs/dbraw/zinc/00/84/77/337008477.db2.gz MYKFDLUTNVIZFX-SCLBCKFNSA-N 0 1 314.404 4.066 20 10 DICDMN Cc1cc(O)c(CN[C@@H](c2ccco2)c2ccccc2)cc1C ZINC000174249399 337139981 /nfs/dbraw/zinc/13/99/81/337139981.db2.gz RQLZQHGWDDAHKH-HXUWFJFHSA-N 0 1 307.393 4.481 20 10 DICDMN C[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1ccccc1O ZINC000183634242 337193968 /nfs/dbraw/zinc/19/39/68/337193968.db2.gz LQUGNEGHXWYURB-JLTOFOAXSA-N 0 1 322.383 4.367 20 10 DICDMN C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1O ZINC000359974139 337441102 /nfs/dbraw/zinc/44/11/02/337441102.db2.gz NFAZUCYTXCJCGK-JLTOFOAXSA-N 0 1 322.383 4.367 20 10 DICDMN CCc1cccnc1[C@H](C)NCc1c(C)c2ccccc2n1C ZINC000479454429 339535771 /nfs/dbraw/zinc/53/57/71/339535771.db2.gz OLIXCKVHGTVMHO-HNNXBMFYSA-N 0 1 307.441 4.295 20 10 DICDMN COc1ccc(O)c([C@@H](C)NCc2nc(C(C)(C)C)cs2)c1 ZINC000182414459 524766126 /nfs/dbraw/zinc/76/61/26/524766126.db2.gz KLLAUHXFQIUPBG-LLVKDONJSA-N 0 1 320.458 4.006 20 10 DICDMN CCCc1nc(C)c(CN[C@@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000293380546 535510972 /nfs/dbraw/zinc/51/09/72/535510972.db2.gz IGURUWPGCJGDQB-AWEZNQCLSA-N 0 1 315.461 4.242 20 10 DICDMN COCC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(C)o1 ZINC000273442532 536806890 /nfs/dbraw/zinc/80/68/90/536806890.db2.gz NBSUJYWBZDEFOD-SWLSCSKDSA-N 0 1 323.820 4.375 20 10 DICDMN COCC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000272706386 536809312 /nfs/dbraw/zinc/80/93/12/536809312.db2.gz ZUFKNTJFIHXVEE-CRAIPNDOSA-N 0 1 316.445 4.082 20 10 DICDMN CC/C(C)=C(\C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682350 1041726155 /nfs/dbraw/zinc/72/61/55/1041726155.db2.gz ADGOZUBBNFWXGY-CMDGGOBGSA-N 0 1 302.201 4.062 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC001236672123 1055220979 /nfs/dbraw/zinc/22/09/79/1055220979.db2.gz BWZYRWGELGWTSD-TXEJJXNPSA-N 0 1 312.251 4.226 20 10 DICDMN Cc1noc(C)c1CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153903549 1035600325 /nfs/dbraw/zinc/60/03/25/1035600325.db2.gz QXPXNMLMHZHFHA-AWEZNQCLSA-N 0 1 313.445 4.133 20 10 DICDMN CN(CC[N@@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC001167353974 1036951462 /nfs/dbraw/zinc/95/14/62/1036951462.db2.gz UMAOSCRUTBKHKF-UHFFFAOYSA-N 0 1 324.468 4.273 20 10 DICDMN C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C[C@@H]1C ZINC000706843721 1037501842 /nfs/dbraw/zinc/50/18/42/1037501842.db2.gz WTLKAFWGNQEHJP-WOPDTQHZSA-N 0 1 312.251 4.069 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001204585619 1038555850 /nfs/dbraw/zinc/55/58/50/1038555850.db2.gz VCTLEMUGGLKWEM-INIZCTEOSA-N 0 1 315.844 4.419 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001204585619 1038555854 /nfs/dbraw/zinc/55/58/54/1038555854.db2.gz VCTLEMUGGLKWEM-INIZCTEOSA-N 0 1 315.844 4.419 20 10 DICDMN CC[C@](C)(NCc1ccc(OC)c(C)c1)c1nc(C)cs1 ZINC000266172440 1039364517 /nfs/dbraw/zinc/36/45/17/1039364517.db2.gz RUCQVYXILCDVSH-KRWDZBQOSA-N 0 1 304.459 4.184 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1[O-] ZINC000808700286 1041009180 /nfs/dbraw/zinc/00/91/80/1041009180.db2.gz KAAROGOCTDCMMR-ZIAGYGMSSA-N 0 1 313.869 4.049 20 10 DICDMN c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000809693148 1041214605 /nfs/dbraw/zinc/21/46/05/1041214605.db2.gz ORQYEFVVWHAYDT-HXUWFJFHSA-N 0 1 324.472 4.127 20 10 DICDMN c1cc([C@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000809693148 1041214621 /nfs/dbraw/zinc/21/46/21/1041214621.db2.gz ORQYEFVVWHAYDT-HXUWFJFHSA-N 0 1 324.472 4.127 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729518 1041224805 /nfs/dbraw/zinc/22/48/05/1041224805.db2.gz UTWRACALVCVZGA-OAHLLOKOSA-N 0 1 323.223 4.431 20 10 DICDMN C[N@@H+](Cc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809753243 1041246518 /nfs/dbraw/zinc/24/65/18/1041246518.db2.gz FBVCPVOZVNRSLO-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809765868 1041250264 /nfs/dbraw/zinc/25/02/64/1041250264.db2.gz REGCIDSBLMGDCO-CQSZACIVSA-N 0 1 308.784 4.163 20 10 DICDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC(F)(F)CC1 ZINC000809781855 1041253544 /nfs/dbraw/zinc/25/35/44/1041253544.db2.gz CBQFPDRWKLGJJW-UHFFFAOYSA-N 0 1 307.743 4.194 20 10 DICDMN CC[C@H]([NH2+]CCCCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810214727 1041338690 /nfs/dbraw/zinc/33/86/90/1041338690.db2.gz HNRXTKOUAADGHM-AWEZNQCLSA-N 0 1 319.367 4.268 20 10 DICDMN CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218520 1041339523 /nfs/dbraw/zinc/33/95/23/1041339523.db2.gz AQZRAHATQTVZCL-ZIAGYGMSSA-N 0 1 319.367 4.123 20 10 DICDMN CC[C@H]([NH2+]CCOC(C)(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229979 1041343042 /nfs/dbraw/zinc/34/30/42/1041343042.db2.gz AKNDPEYZOHGZSH-ZDUSSCGKSA-N 0 1 319.367 4.267 20 10 DICDMN CC[C@@H]([NH2+]CCCOC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208724 1041347023 /nfs/dbraw/zinc/34/70/23/1041347023.db2.gz WTIBTZFQWWHEIK-CQSZACIVSA-N 0 1 319.367 4.267 20 10 DICDMN CC[C@@H]([NH2+]CCc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810210320 1041349512 /nfs/dbraw/zinc/34/95/12/1041349512.db2.gz RLSURXMKYCNVFF-OAHLLOKOSA-N 0 1 324.346 4.089 20 10 DICDMN CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239968 1041353502 /nfs/dbraw/zinc/35/35/02/1041353502.db2.gz LAUVQUHCHBMAKO-AXFHLTTASA-N 0 1 309.278 4.105 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(Cl)ccc1[O-] ZINC000363885534 1041589992 /nfs/dbraw/zinc/58/99/92/1041589992.db2.gz IJVMATBBFZJJPF-MEBBXXQBSA-N 0 1 321.779 4.359 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000756455410 1041592143 /nfs/dbraw/zinc/59/21/43/1041592143.db2.gz JXBCRBIYLLQFDF-GFCCVEGCSA-N 0 1 312.800 4.445 20 10 DICDMN Cc1ccc([C@H](C)N[C@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000185289245 1041611110 /nfs/dbraw/zinc/61/11/10/1041611110.db2.gz LASKVNRDXRKQQN-DOTOQJQBSA-N 0 1 317.429 4.358 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(Cl)ccc1[O-] ZINC000186009115 1041623947 /nfs/dbraw/zinc/62/39/47/1041623947.db2.gz LXEVBYWFHJVBPL-ZUZCIYMTSA-N 0 1 321.779 4.359 20 10 DICDMN C/C=C(/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O)CC ZINC000813683311 1041726641 /nfs/dbraw/zinc/72/66/41/1041726641.db2.gz KBSXNCKPZJRUJS-VMTDUWPYSA-N 0 1 314.212 4.228 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000813872999 1041740618 /nfs/dbraw/zinc/74/06/18/1041740618.db2.gz MVGUDXAXTXLQGO-VXGBXAGGSA-N 0 1 301.352 4.398 20 10 DICDMN CC[C@H]([NH2+]CC(C)(C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000813882757 1041742598 /nfs/dbraw/zinc/74/25/98/1041742598.db2.gz JNZZOPJUTWVDNF-ZDUSSCGKSA-N 0 1 319.367 4.124 20 10 DICDMN CCc1nc(C)c(CN[C@@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000813887346 1041742654 /nfs/dbraw/zinc/74/26/54/1041742654.db2.gz GRTMOFGAHNJSLM-JTQLQIEISA-N 0 1 308.809 4.064 20 10 DICDMN CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCCC3)[C@H]1c1ccncc1 ZINC000814227044 1041794751 /nfs/dbraw/zinc/79/47/51/1041794751.db2.gz AMNWIVDCNQTQJG-FQEVSTJZSA-N 0 1 322.452 4.249 20 10 DICDMN CC1(C)CN(Cc2cc3c(cc2O)CCCC3)[C@H]1c1ccncc1 ZINC000814227044 1041794757 /nfs/dbraw/zinc/79/47/57/1041794757.db2.gz AMNWIVDCNQTQJG-FQEVSTJZSA-N 0 1 322.452 4.249 20 10 DICDMN COc1ccc(Cl)cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000162772029 1041804198 /nfs/dbraw/zinc/80/41/98/1041804198.db2.gz YFXYCTQOKOJNAP-CYBMUJFWSA-N 0 1 318.848 4.265 20 10 DICDMN COc1ccc2ccc(O)c(C[N@H+]3CCc4ccccc4C3)c2c1 ZINC000003554802 1041836400 /nfs/dbraw/zinc/83/64/00/1041836400.db2.gz QPOGZUMQOUVWON-UHFFFAOYSA-N 0 1 319.404 4.112 20 10 DICDMN CCN(CC)c1ccc(CNCc2cccc(O)c2Cl)cc1 ZINC000815115979 1041914761 /nfs/dbraw/zinc/91/47/61/1041914761.db2.gz UOHJQJSXDTUZJZ-UHFFFAOYSA-N 0 1 318.848 4.182 20 10 DICDMN CC(F)(F)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000815141833 1041924753 /nfs/dbraw/zinc/92/47/53/1041924753.db2.gz ISWADYDONLEHNR-UHFFFAOYSA-N 0 1 311.759 4.447 20 10 DICDMN CN(Cc1ccc2ccccc2c1O)Cc1ccccc1[N+](=O)[O-] ZINC000816487383 1042057765 /nfs/dbraw/zinc/05/77/65/1042057765.db2.gz LIBBTTBQSLXLGR-UHFFFAOYSA-N 0 1 322.364 4.086 20 10 DICDMN C[N@H+](CCOCc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816520217 1042060677 /nfs/dbraw/zinc/06/06/77/1042060677.db2.gz ITZKJIGURHOLOM-UHFFFAOYSA-N 0 1 321.420 4.194 20 10 DICDMN C[N@@H+](CCOCc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816520217 1042060684 /nfs/dbraw/zinc/06/06/84/1042060684.db2.gz ITZKJIGURHOLOM-UHFFFAOYSA-N 0 1 321.420 4.194 20 10 DICDMN CCCO[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816508825 1042061598 /nfs/dbraw/zinc/06/15/98/1042061598.db2.gz WADYTYOLTHMQEF-GOSISDBHSA-N 0 1 313.441 4.327 20 10 DICDMN CCCO[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816508825 1042061605 /nfs/dbraw/zinc/06/16/05/1042061605.db2.gz WADYTYOLTHMQEF-GOSISDBHSA-N 0 1 313.441 4.327 20 10 DICDMN COc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])ccc1C ZINC000816541650 1042063013 /nfs/dbraw/zinc/06/30/13/1042063013.db2.gz REDZGCKDIICPTK-UHFFFAOYSA-N 0 1 307.393 4.152 20 10 DICDMN CN(C)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1F ZINC000816543743 1042063780 /nfs/dbraw/zinc/06/37/80/1042063780.db2.gz MPYVSHLZCWYTMO-UHFFFAOYSA-N 0 1 324.399 4.040 20 10 DICDMN CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816549955 1042064565 /nfs/dbraw/zinc/06/45/65/1042064565.db2.gz DBVBYKOMCYRIFO-JKSUJKDBSA-N 0 1 301.455 4.309 20 10 DICDMN COCCC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCC1 ZINC000816556557 1042067307 /nfs/dbraw/zinc/06/73/07/1042067307.db2.gz MOECVPWETUHANH-UHFFFAOYSA-N 0 1 313.441 4.232 20 10 DICDMN [O-]c1c(C[NH2+][C@H](CCCO)c2ccccc2)ccc2ccccc21 ZINC000816552160 1042067851 /nfs/dbraw/zinc/06/78/51/1042067851.db2.gz CMKHMPWWGLYJJY-HXUWFJFHSA-N 0 1 321.420 4.149 20 10 DICDMN Oc1c(CNCc2nc(C3CC3)cs2)ccc2ccccc21 ZINC000816558189 1042067996 /nfs/dbraw/zinc/06/79/96/1042067996.db2.gz PXVUSDBXNXBZKM-UHFFFAOYSA-N 0 1 310.422 4.169 20 10 DICDMN C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559171 1042068028 /nfs/dbraw/zinc/06/80/28/1042068028.db2.gz ALAWLMFLVDSMPU-FOIQADDNSA-N 0 1 321.420 4.147 20 10 DICDMN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559627 1042069053 /nfs/dbraw/zinc/06/90/53/1042069053.db2.gz PSHSQNGKIKDQLM-SJLPKXTDSA-N 0 1 313.441 4.229 20 10 DICDMN COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000816630851 1042070283 /nfs/dbraw/zinc/07/02/83/1042070283.db2.gz UWHHIHLGEKRCGW-IBGZPJMESA-N 0 1 309.409 4.128 20 10 DICDMN COCC(C)(C)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816612489 1042072789 /nfs/dbraw/zinc/07/27/89/1042072789.db2.gz QHKBPXZDOGVXFD-UHFFFAOYSA-N 0 1 301.430 4.088 20 10 DICDMN CSC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616993 1042073858 /nfs/dbraw/zinc/07/38/58/1042073858.db2.gz LNDIQBLCPMPRTR-AWEZNQCLSA-N 0 1 301.455 4.120 20 10 DICDMN CSC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616993 1042073862 /nfs/dbraw/zinc/07/38/62/1042073862.db2.gz LNDIQBLCPMPRTR-AWEZNQCLSA-N 0 1 301.455 4.120 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1cc(Cl)ccc1[O-] ZINC000817589896 1042119623 /nfs/dbraw/zinc/11/96/23/1042119623.db2.gz RCMFVCIAGACAET-INIZCTEOSA-N 0 1 304.821 4.298 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000279599316 1042324402 /nfs/dbraw/zinc/32/44/02/1042324402.db2.gz WBHGBGXGUIERAQ-DTWKUNHWSA-N 0 1 316.348 4.279 20 10 DICDMN CCN(CC)c1ccc(CNCc2cccc(F)c2F)cc1F ZINC000236928569 1042414291 /nfs/dbraw/zinc/41/42/91/1042414291.db2.gz VIOMYLYBMFPYAG-UHFFFAOYSA-N 0 1 322.374 4.240 20 10 DICDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000271847860 1042670045 /nfs/dbraw/zinc/67/00/45/1042670045.db2.gz WYQLNCNGORWSEP-KBPBESRZSA-N 0 1 313.401 4.073 20 10 DICDMN CC[C@H]([NH2+]CCc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000794826789 1043065993 /nfs/dbraw/zinc/06/59/93/1043065993.db2.gz DUFQJXSYWDXICV-INIZCTEOSA-N 0 1 304.821 4.032 20 10 DICDMN C[C@H](NCc1cccnc1F)c1ccc(N2CCCCC2)cc1 ZINC000794837017 1043097454 /nfs/dbraw/zinc/09/74/54/1043097454.db2.gz TXRYGFXNHVKROX-HNNXBMFYSA-N 0 1 313.420 4.062 20 10 DICDMN CC(C)COC[C@H](N[C@H](C)c1ccccc1O)c1ccco1 ZINC000183478128 1043164709 /nfs/dbraw/zinc/16/47/09/1043164709.db2.gz SUMAFZPANPLDSR-ZBFHGGJFSA-N 0 1 303.402 4.050 20 10 DICDMN COCc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184925778 1043192346 /nfs/dbraw/zinc/19/23/46/1043192346.db2.gz BBKOOSGUSNXKJJ-LBPRGKRZSA-N 0 1 305.805 4.043 20 10 DICDMN C[C@@H](NCc1nc(C(C)(C)C)cs1)c1cc(F)ccc1O ZINC000185374567 1043200596 /nfs/dbraw/zinc/20/05/96/1043200596.db2.gz MOQIZPARAFBVMS-SNVBAGLBSA-N 0 1 308.422 4.136 20 10 DICDMN CCC(CC)c1cc(CN[C@H](C)c2cc(F)ccc2O)on1 ZINC000185562249 1043203979 /nfs/dbraw/zinc/20/39/79/1043203979.db2.gz MXNMYJKSBNUVTA-LLVKDONJSA-N 0 1 306.381 4.274 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(Cl)ccc1[O-] ZINC000186009136 1043210465 /nfs/dbraw/zinc/21/04/65/1043210465.db2.gz LXEVBYWFHJVBPL-MEBBXXQBSA-N 0 1 321.779 4.359 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(Cl)ccc1[O-] ZINC000186128988 1043214431 /nfs/dbraw/zinc/21/44/31/1043214431.db2.gz PWICMWLACAJEQN-TZMCWYRMSA-N 0 1 309.837 4.188 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(Br)cc1[O-] ZINC000760039204 1043219689 /nfs/dbraw/zinc/21/96/89/1043219689.db2.gz DERNIJWXSSKUIB-QMTHXVAHSA-N 0 1 310.235 4.138 20 10 DICDMN C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(Br)cc1[O-] ZINC000760039201 1043220014 /nfs/dbraw/zinc/22/00/14/1043220014.db2.gz DERNIJWXSSKUIB-HZMBPMFUSA-N 0 1 310.235 4.138 20 10 DICDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000866541083 1043220053 /nfs/dbraw/zinc/22/00/53/1043220053.db2.gz VXPSHPJHWJLJIH-LLVKDONJSA-N 0 1 320.776 4.113 20 10 DICDMN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000186766083 1043233170 /nfs/dbraw/zinc/23/31/70/1043233170.db2.gz AKLPEFKDBTZGSE-ONGXEEELSA-N 0 1 310.850 4.265 20 10 DICDMN CCSc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000187787707 1043251311 /nfs/dbraw/zinc/25/13/11/1043251311.db2.gz RALSMSZWXZOUIJ-NSHDSACASA-N 0 1 322.861 4.403 20 10 DICDMN [O-]c1cccc2c(NCc3ccc(N4CCCC4)cc3)cc[nH+]c12 ZINC000795077605 1043314827 /nfs/dbraw/zinc/31/48/27/1043314827.db2.gz LZZNSXOLIJESIR-UHFFFAOYSA-N 0 1 319.408 4.153 20 10 DICDMN Cc1nc(C)c([C@H](C)N(C)Cc2ccc(N(C)C)c(F)c2)s1 ZINC000123161053 1043350861 /nfs/dbraw/zinc/35/08/61/1043350861.db2.gz HJXZFLSBMVEAPS-LBPRGKRZSA-N 0 1 321.465 4.158 20 10 DICDMN CSc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000797877956 1043360669 /nfs/dbraw/zinc/36/06/69/1043360669.db2.gz HRJIDTTZKIZUQY-UHFFFAOYSA-N 0 1 307.846 4.100 20 10 DICDMN Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000872134639 1043474841 /nfs/dbraw/zinc/47/48/41/1043474841.db2.gz SWPPLQPOGBRYSL-JSGCOSHPSA-N 0 1 307.397 4.056 20 10 DICDMN CCCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1C ZINC000873049303 1043514648 /nfs/dbraw/zinc/51/46/48/1043514648.db2.gz FPMKBITVFICMAV-CYBMUJFWSA-N 0 1 302.418 4.239 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1cc(Cl)ccc1[O-] ZINC000873288464 1043534215 /nfs/dbraw/zinc/53/42/15/1043534215.db2.gz GIAZAMVCHDBJTQ-OAHLLOKOSA-N 0 1 308.784 4.008 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(Cl)cc1[O-] ZINC000927064121 1043677358 /nfs/dbraw/zinc/67/73/58/1043677358.db2.gz PANAKLUUWULAPI-ABAIWWIYSA-N 0 1 302.805 4.169 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(Cl)cc1[O-] ZINC000927062768 1043677396 /nfs/dbraw/zinc/67/73/96/1043677396.db2.gz PANAKLUUWULAPI-XHDPSFHLSA-N 0 1 302.805 4.169 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC000825903288 1043710020 /nfs/dbraw/zinc/71/00/20/1043710020.db2.gz BWGWODJMEKBUSW-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccncc2)cc1Cl ZINC000825903288 1043710033 /nfs/dbraw/zinc/71/00/33/1043710033.db2.gz BWGWODJMEKBUSW-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000825935519 1043744782 /nfs/dbraw/zinc/74/47/82/1043744782.db2.gz WRXGJJVCTXTXGU-ZDUSSCGKSA-N 0 1 304.821 4.332 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000825935519 1043744787 /nfs/dbraw/zinc/74/47/87/1043744787.db2.gz WRXGJJVCTXTXGU-ZDUSSCGKSA-N 0 1 304.821 4.332 20 10 DICDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000825943559 1043750245 /nfs/dbraw/zinc/75/02/45/1043750245.db2.gz HJHWKCXZIOENHI-AWEZNQCLSA-N 0 1 311.853 4.134 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000825943559 1043750254 /nfs/dbraw/zinc/75/02/54/1043750254.db2.gz HJHWKCXZIOENHI-AWEZNQCLSA-N 0 1 311.853 4.134 20 10 DICDMN Cc1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000127195175 1043902175 /nfs/dbraw/zinc/90/21/75/1043902175.db2.gz ICDXLHLZANXWLB-KRWDZBQOSA-N 0 1 309.457 4.231 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2cc(C)cc(Cl)n2)cc1 ZINC000281917040 1044213369 /nfs/dbraw/zinc/21/33/69/1044213369.db2.gz AHQWHXDTPXOGHY-CQSZACIVSA-N 0 1 317.864 4.350 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2ccc(C)nc2Cl)cc1 ZINC000883302014 1044262384 /nfs/dbraw/zinc/26/23/84/1044262384.db2.gz OGSJVQBRENHLLC-AWEZNQCLSA-N 0 1 317.864 4.350 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000883353402 1044281964 /nfs/dbraw/zinc/28/19/64/1044281964.db2.gz UDCDWYOMWYMJDH-QOKNQOGYSA-N 0 1 313.441 4.401 20 10 DICDMN COc1ccc(O)c([C@H](C)N[C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883376478 1044289571 /nfs/dbraw/zinc/28/95/71/1044289571.db2.gz LRVPTQSJTSIQQA-OYYNGEPBSA-N 0 1 315.388 4.077 20 10 DICDMN COc1cccc([C@H](C)N[C@@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883377849 1044293039 /nfs/dbraw/zinc/29/30/39/1044293039.db2.gz SADVDVGJNYXPOD-ULFGMLNVSA-N 0 1 315.388 4.077 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1sccc1Cl ZINC000475190659 1044311661 /nfs/dbraw/zinc/31/16/61/1044311661.db2.gz AQPGXFORMLUZAP-UHFFFAOYSA-N 0 1 304.846 4.491 20 10 DICDMN CCCc1nc(C)c(CN[C@@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000293901383 1044348798 /nfs/dbraw/zinc/34/87/98/1044348798.db2.gz ZPZYGBZZZXVBFW-KRWDZBQOSA-N 0 1 315.461 4.242 20 10 DICDMN CCN(CC)c1ccc(CNc2cc3c(cn2)CCCC3)cc1 ZINC001202561372 1044352376 /nfs/dbraw/zinc/35/23/76/1044352376.db2.gz URLINBZXJSADGU-UHFFFAOYSA-N 0 1 309.457 4.419 20 10 DICDMN CC(C)C[N@@H+](Cc1cccc(Br)c1[O-])C(C)C ZINC000133516017 1044406381 /nfs/dbraw/zinc/40/63/81/1044406381.db2.gz QTFVRRGKRGRTSX-UHFFFAOYSA-N 0 1 300.240 4.021 20 10 DICDMN Cc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000155246768 1044691371 /nfs/dbraw/zinc/69/13/71/1044691371.db2.gz OKTVXYOMFCGGGN-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000373315615 1044963972 /nfs/dbraw/zinc/96/39/72/1044963972.db2.gz BQGAMTKFGKPGFJ-UHFFFAOYSA-N 0 1 324.811 4.397 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(-c2ccccc2)no1 ZINC000924575682 1045177880 /nfs/dbraw/zinc/17/78/80/1045177880.db2.gz ZXIAEMZSUMGELL-HNNXBMFYSA-N 0 1 321.424 4.258 20 10 DICDMN CC(C)C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N(C)C ZINC000320729515 1045185579 /nfs/dbraw/zinc/18/55/79/1045185579.db2.gz XBVUGKANPOEPBL-NVXWUHKLSA-N 0 1 314.473 4.172 20 10 DICDMN COCCC1CC[NH+]([C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000527933122 1045286612 /nfs/dbraw/zinc/28/66/12/1045286612.db2.gz HQZNBXAIIFTXSX-HNNXBMFYSA-N 0 1 313.441 4.355 20 10 DICDMN CCCOc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113323539 1045561557 /nfs/dbraw/zinc/56/15/57/1045561557.db2.gz FZJAQXYPASAQAO-UHFFFAOYSA-N 0 1 305.805 4.124 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccsc2)c1[O-] ZINC000801570737 1045744262 /nfs/dbraw/zinc/74/42/62/1045744262.db2.gz UTGWNEQPHICZIM-SECBINFHSA-N 0 1 309.818 4.161 20 10 DICDMN COc1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000193703465 1046062681 /nfs/dbraw/zinc/06/26/81/1046062681.db2.gz FOWXMXZENZEUHK-AWEZNQCLSA-N 0 1 307.393 4.405 20 10 DICDMN CC[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCCC1 ZINC000756399255 1046076340 /nfs/dbraw/zinc/07/63/40/1046076340.db2.gz AGRKYPKFOCRVCV-WBVHZDCISA-N 0 1 312.457 4.070 20 10 DICDMN CC[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCCC1 ZINC000756399252 1046076888 /nfs/dbraw/zinc/07/68/88/1046076888.db2.gz AGRKYPKFOCRVCV-DOTOQJQBSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000756440760 1046081190 /nfs/dbraw/zinc/08/11/90/1046081190.db2.gz GTFVWINQHXGNLV-WBMJQRKESA-N 0 1 321.852 4.008 20 10 DICDMN C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756494882 1046090711 /nfs/dbraw/zinc/09/07/11/1046090711.db2.gz OXIAGLCNMOPXDN-STQMWFEESA-N 0 1 305.805 4.164 20 10 DICDMN Cc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)C2CCC2)o1 ZINC000756496587 1046093017 /nfs/dbraw/zinc/09/30/17/1046093017.db2.gz PFHCKFWPFRZTLZ-LJQANCHMSA-N 0 1 316.420 4.424 20 10 DICDMN CCc1nc([C@H](C)N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cs1 ZINC000756568382 1046100801 /nfs/dbraw/zinc/10/08/01/1046100801.db2.gz DQSOVGFZHJTYIK-JBLDHEPKSA-N 0 1 320.433 4.449 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1[O-] ZINC001138123900 1046101759 /nfs/dbraw/zinc/10/17/59/1046101759.db2.gz QPUPYZLJYHNFBJ-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN C[C@H]([NH2+]CCc1cc(F)ccc1F)c1cc(Cl)ccc1[O-] ZINC000756638020 1046113848 /nfs/dbraw/zinc/11/38/48/1046113848.db2.gz QKINVSPGUJCHRL-JTQLQIEISA-N 0 1 311.759 4.217 20 10 DICDMN C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756632983 1046114753 /nfs/dbraw/zinc/11/47/53/1046114753.db2.gz GJSQJJXJNLMZQC-CABCVRRESA-N 0 1 306.409 4.222 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)c2c1c(F)ccc2[O-] ZINC000756647488 1046116416 /nfs/dbraw/zinc/11/64/16/1046116416.db2.gz GZMVNTHQSXPRBM-HIFRSBDPSA-N 0 1 321.436 4.002 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Oc1ccccc1 ZINC000756704130 1046122503 /nfs/dbraw/zinc/12/25/03/1046122503.db2.gz FQACZZDNLOOFSU-OLZOCXBDSA-N 0 1 305.805 4.164 20 10 DICDMN CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1O ZINC001138221001 1046122783 /nfs/dbraw/zinc/12/27/83/1046122783.db2.gz WRPXBIADWCXTBT-UHFFFAOYSA-N 0 1 324.468 4.405 20 10 DICDMN Cc1cccc(NCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000756747499 1046125857 /nfs/dbraw/zinc/12/58/57/1046125857.db2.gz PQNIXQRCOOHFAL-HNNXBMFYSA-N 0 1 321.424 4.012 20 10 DICDMN C[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)c2c1c(F)ccc2O ZINC000756758424 1046127635 /nfs/dbraw/zinc/12/76/35/1046127635.db2.gz FMYFARYPAUQWFK-SKDRFNHKSA-N 0 1 318.417 4.203 20 10 DICDMN Cc1ccc([C@@H](C)NCc2ccn(C3CCCC3)n2)c(O)c1C ZINC000756761609 1046128054 /nfs/dbraw/zinc/12/80/54/1046128054.db2.gz UHIBTJQHJRLUOH-OAHLLOKOSA-N 0 1 313.445 4.171 20 10 DICDMN C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000756761743 1046128214 /nfs/dbraw/zinc/12/82/14/1046128214.db2.gz UZWHRCLTCXAMHS-WOSRLPQWSA-N 0 1 311.853 4.028 20 10 DICDMN Cc1ncc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])s1 ZINC000756762080 1046128269 /nfs/dbraw/zinc/12/82/69/1046128269.db2.gz SQTVZTILTPNGQO-GFCCVEGCSA-N 0 1 312.438 4.204 20 10 DICDMN Cc1cc([C@@H]2CCCN2Cc2c(C)n(C)c3ccccc23)no1 ZINC001138252888 1046129501 /nfs/dbraw/zinc/12/95/01/1046129501.db2.gz XDICPNKCMIUEKZ-IBGZPJMESA-N 0 1 309.413 4.120 20 10 DICDMN Cc1cc([C@H]2CCCN2Cc2c(C)n(C)c3ccccc23)no1 ZINC001138252891 1046129846 /nfs/dbraw/zinc/12/98/46/1046129846.db2.gz XDICPNKCMIUEKZ-LJQANCHMSA-N 0 1 309.413 4.120 20 10 DICDMN COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000756770384 1046130181 /nfs/dbraw/zinc/13/01/81/1046130181.db2.gz UXYREYHKLSFBOO-ZDUSSCGKSA-N 0 1 317.404 4.168 20 10 DICDMN CC[N@@H+](Cc1c(C)n(C)c2ccccc12)Cc1ccccc1O ZINC001138258660 1046131425 /nfs/dbraw/zinc/13/14/25/1046131425.db2.gz XUYBQPWTSFGWPG-UHFFFAOYSA-N 0 1 308.425 4.214 20 10 DICDMN Cc1c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c2ccccc2n1C ZINC001138260180 1046131582 /nfs/dbraw/zinc/13/15/82/1046131582.db2.gz YCCFLPALQMWBER-HNNXBMFYSA-N 0 1 324.468 4.210 20 10 DICDMN COc1cccc2c1CC[N@@H+](Cc1c(C)n(C)c3ccccc31)C2 ZINC001138260182 1046131695 /nfs/dbraw/zinc/13/16/95/1046131695.db2.gz YCJLHYGNHBPEEY-UHFFFAOYSA-N 0 1 320.436 4.054 20 10 DICDMN Cc1c(CN2CCO[C@@H](c3ccccc3)C2)c2ccccc2n1C ZINC001138257100 1046132258 /nfs/dbraw/zinc/13/22/58/1046132258.db2.gz VZVGKNNTBNKYET-OAQYLSRUSA-N 0 1 320.436 4.060 20 10 DICDMN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756785053 1046133685 /nfs/dbraw/zinc/13/36/85/1046133685.db2.gz RWEBTLXDNGDBKW-APPDUMDISA-N 0 1 302.805 4.243 20 10 DICDMN COc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2O)nc1 ZINC000756846707 1046141706 /nfs/dbraw/zinc/14/17/06/1046141706.db2.gz XEXZPZCQUIACJF-MRVPVSSYSA-N 0 1 313.184 4.276 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127425897 1046148878 /nfs/dbraw/zinc/14/88/78/1046148878.db2.gz SUSOMCQUTPOZSE-AWEZNQCLSA-N 0 1 311.212 4.364 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccccc2)c(OC)c1 ZINC001138387312 1046162134 /nfs/dbraw/zinc/16/21/34/1046162134.db2.gz AWBDMXUYJSEOFS-UHFFFAOYSA-N 0 1 312.457 4.173 20 10 DICDMN CCN(CC)c1ccc(CN2CCCCC23CC3)c(OC)c1 ZINC001138390420 1046162365 /nfs/dbraw/zinc/16/23/65/1046162365.db2.gz WHCNIFBVTHSGER-UHFFFAOYSA-N 0 1 302.462 4.060 20 10 DICDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1cc(F)cc(F)c1O ZINC000757613674 1046192976 /nfs/dbraw/zinc/19/29/76/1046192976.db2.gz NMUKVEOJFDEEJK-JTQLQIEISA-N 0 1 324.346 4.044 20 10 DICDMN C[C@@H](Nc1cccc2cc[nH+]cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757612943 1046193295 /nfs/dbraw/zinc/19/32/95/1046193295.db2.gz WMVSLFAHOARWEX-LLVKDONJSA-N 0 1 309.325 4.022 20 10 DICDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1cc(Cl)ccc1O ZINC000757615558 1046195405 /nfs/dbraw/zinc/19/54/05/1046195405.db2.gz VMWLQRMVECNLKS-LLVKDONJSA-N 0 1 322.811 4.419 20 10 DICDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1cc(Cl)ccc1O ZINC000757615559 1046196151 /nfs/dbraw/zinc/19/61/51/1046196151.db2.gz VMWLQRMVECNLKS-NSHDSACASA-N 0 1 322.811 4.419 20 10 DICDMN C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000757654318 1046197598 /nfs/dbraw/zinc/19/75/98/1046197598.db2.gz ABUAPYAXUNAFNP-OAGGEKHMSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000757654317 1046198149 /nfs/dbraw/zinc/19/81/49/1046198149.db2.gz ABUAPYAXUNAFNP-BZUAXINKSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000903262317 1046210401 /nfs/dbraw/zinc/21/04/01/1046210401.db2.gz CQLGYBWIMKPMOY-QOKNQOGYSA-N 0 1 313.441 4.137 20 10 DICDMN CCN(CC)c1ccc(CN(C)[C@H](C)c2ccncc2)cc1F ZINC000757883344 1046223235 /nfs/dbraw/zinc/22/32/35/1046223235.db2.gz ZXEGVTZWGFBVOU-OAHLLOKOSA-N 0 1 315.436 4.260 20 10 DICDMN C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903335732 1046249221 /nfs/dbraw/zinc/24/92/21/1046249221.db2.gz STTXFNLKJLHWEC-DIFFPNOSSA-N 0 1 302.805 4.243 20 10 DICDMN C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903335733 1046249619 /nfs/dbraw/zinc/24/96/19/1046249619.db2.gz STTXFNLKJLHWEC-GTNSWQLSSA-N 0 1 302.805 4.243 20 10 DICDMN CC(C)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000758507872 1046275375 /nfs/dbraw/zinc/27/53/75/1046275375.db2.gz MLALAUSCSDEESY-LJQANCHMSA-N 0 1 317.379 4.387 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026237330 1046310662 /nfs/dbraw/zinc/31/06/62/1046310662.db2.gz ASAXJHTWQQSHPD-GOSISDBHSA-N 0 1 318.420 4.148 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026237330 1046310676 /nfs/dbraw/zinc/31/06/76/1046310676.db2.gz ASAXJHTWQQSHPD-GOSISDBHSA-N 0 1 318.420 4.148 20 10 DICDMN CCc1cccnc1[C@@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000780714340 1046400333 /nfs/dbraw/zinc/40/03/33/1046400333.db2.gz SNIIXFDXECIBAY-MRXNPFEDSA-N 0 1 311.473 4.341 20 10 DICDMN C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(N(C)C)cc1 ZINC000090963525 1046432359 /nfs/dbraw/zinc/43/23/59/1046432359.db2.gz ICRCKRBBYVNIGW-CHWSQXEVSA-N 0 1 304.384 4.443 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC23CCCCC3)c1[O-] ZINC001168235177 1046435772 /nfs/dbraw/zinc/43/57/72/1046435772.db2.gz QSKBBUJQYSIWBN-UHFFFAOYSA-N 0 1 305.393 4.033 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC23CCCCC3)c1[O-] ZINC001168235177 1046435778 /nfs/dbraw/zinc/43/57/78/1046435778.db2.gz QSKBBUJQYSIWBN-UHFFFAOYSA-N 0 1 305.393 4.033 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C(C2CC2)C2CC2)c1 ZINC000781904533 1046485017 /nfs/dbraw/zinc/48/50/17/1046485017.db2.gz HWMWXOWKFBROEU-UHFFFAOYSA-N 0 1 324.262 4.084 20 10 DICDMN CN(Cc1cnc(-c2cccs2)s1)Cc1ccccc1O ZINC000091974473 1046490302 /nfs/dbraw/zinc/49/03/02/1046490302.db2.gz QXDYAHJHNFFZGF-UHFFFAOYSA-N 0 1 316.451 4.209 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001139683591 1046499089 /nfs/dbraw/zinc/49/90/89/1046499089.db2.gz NQLRLPMYLFTGHF-NSHDSACASA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001139686016 1046499536 /nfs/dbraw/zinc/49/95/36/1046499536.db2.gz JTYSCOPOJYMVJG-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN CSCC1(CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000826937320 1046501258 /nfs/dbraw/zinc/50/12/58/1046501258.db2.gz LMLJOQUHHKEXDT-UHFFFAOYSA-N 0 1 301.455 4.168 20 10 DICDMN C[C@H](NCc1cc(F)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000782543242 1046535703 /nfs/dbraw/zinc/53/57/03/1046535703.db2.gz GSJIOWHXNOSZQI-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001140056486 1046578623 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ZINC000093275193 1046619368 /nfs/dbraw/zinc/61/93/68/1046619368.db2.gz SEVHBUHGFALTGJ-SNVBAGLBSA-N 0 1 310.850 4.312 20 10 DICDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(Cl)ccc2[O-])s1 ZINC000093275193 1046619370 /nfs/dbraw/zinc/61/93/70/1046619370.db2.gz SEVHBUHGFALTGJ-SNVBAGLBSA-N 0 1 310.850 4.312 20 10 DICDMN COc1ccccc1[C@@H](C)N(C)Cc1c(O)cccc1Cl ZINC001140341212 1046666365 /nfs/dbraw/zinc/66/63/65/1046666365.db2.gz DJCNYJYMBGIQDH-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCSc2ccccc2C1 ZINC001140342183 1046667722 /nfs/dbraw/zinc/66/77/22/1046667722.db2.gz WFCCQXDNHQXUDG-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCSc2ccccc2C1 ZINC001140342183 1046667718 /nfs/dbraw/zinc/66/77/18/1046667718.db2.gz WFCCQXDNHQXUDG-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN C[C@H]1C[C@H](NCc2cc(F)cnc2Cl)c2c1c(F)ccc2O ZINC000834836284 1046680111 /nfs/dbraw/zinc/68/01/11/1046680111.db2.gz LWIOJPWAZOIYSM-UFBFGSQYSA-N 0 1 324.758 4.057 20 10 DICDMN C[C@H](N[C@H]1CCn2ccnc21)c1ccc(N2CCCCCC2)cc1 ZINC000834834668 1046680168 /nfs/dbraw/zinc/68/01/68/1046680168.db2.gz DWVJRXWMDGQWID-LPHOPBHVSA-N 0 1 324.472 4.059 20 10 DICDMN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000834850801 1046686314 /nfs/dbraw/zinc/68/63/14/1046686314.db2.gz PJPJWBHZHXYXTL-LBPRGKRZSA-N 0 1 304.821 4.069 20 10 DICDMN CC[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834882266 1046697403 /nfs/dbraw/zinc/69/74/03/1046697403.db2.gz IFVYJXKNNGHSSV-CJNGLKHVSA-N 0 1 323.864 4.436 20 10 DICDMN CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000834885355 1046698208 /nfs/dbraw/zinc/69/82/08/1046698208.db2.gz IVTAOUOPWKRKAR-GDZNZVCISA-N 0 1 311.853 4.147 20 10 DICDMN CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000834885353 1046698736 /nfs/dbraw/zinc/69/87/36/1046698736.db2.gz IVTAOUOPWKRKAR-AHIWAGSCSA-N 0 1 311.853 4.147 20 10 DICDMN CC[C@@H]([NH2+]CCc1ncccc1C)c1cc(Cl)ccc1[O-] ZINC000834886673 1046701532 /nfs/dbraw/zinc/70/15/32/1046701532.db2.gz VNAMVRAOAQAMDS-OAHLLOKOSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1cc(Cl)ccc1[O-] ZINC000834894918 1046704027 /nfs/dbraw/zinc/70/40/27/1046704027.db2.gz MZEIYJPMINWMEX-RISCZKNCSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@H](N[C@H](C)c1nccn1CC)c1cc(Cl)ccc1O ZINC000834894918 1046704039 /nfs/dbraw/zinc/70/40/39/1046704039.db2.gz MZEIYJPMINWMEX-RISCZKNCSA-N 0 1 307.825 4.064 20 10 DICDMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(N2CCCCC2)cc1 ZINC000834895718 1046705264 /nfs/dbraw/zinc/70/52/64/1046705264.db2.gz CVOGJVZYGSCACE-TXPKVOOTSA-N 0 1 324.472 4.230 20 10 DICDMN Cc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])nc1 ZINC000834909593 1046717403 /nfs/dbraw/zinc/71/74/03/1046717403.db2.gz PAPHMXJRTOUAQL-OAHLLOKOSA-N 0 1 306.409 4.142 20 10 DICDMN CCN(C/C=C\c1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000835026718 1046745315 /nfs/dbraw/zinc/74/53/15/1046745315.db2.gz FPJCNZXAJPNPIM-WAYWQWQTSA-N 0 1 300.368 4.040 20 10 DICDMN CC[C@](C)(NC/C=C/c1ccc(N(C)C)cc1)c1nccs1 ZINC000835040609 1046745993 /nfs/dbraw/zinc/74/59/93/1046745993.db2.gz QMHIQIXUUYNTCY-DKFQHHCZSA-N 0 1 315.486 4.137 20 10 DICDMN CC[C@@](C)(NC/C=C\c1ccc(N(C)C)cc1)c1nccs1 ZINC000835040610 1046746902 /nfs/dbraw/zinc/74/69/02/1046746902.db2.gz QMHIQIXUUYNTCY-HPFMTEOYSA-N 0 1 315.486 4.137 20 10 DICDMN CC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000835039115 1046746945 /nfs/dbraw/zinc/74/69/45/1046746945.db2.gz WNDUZFOBRLAEMI-JTGQJZMRSA-N 0 1 315.486 4.272 20 10 DICDMN CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H](C)c1cccnc1 ZINC000835053895 1046750561 /nfs/dbraw/zinc/75/05/61/1046750561.db2.gz PZRCVHVVFDVSAQ-QWPQOLDESA-N 0 1 309.457 4.244 20 10 DICDMN C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc2ccccc2c1[O-] ZINC000797051847 1046780648 /nfs/dbraw/zinc/78/06/48/1046780648.db2.gz FGDIHHQCXMSVQF-AWEZNQCLSA-N 0 1 317.392 4.044 20 10 DICDMN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1c(F)cncc1F ZINC000797125199 1046792984 /nfs/dbraw/zinc/79/29/84/1046792984.db2.gz IKDJNCGXHCXTAY-VYUIOLGVSA-N 0 1 322.330 4.104 20 10 DICDMN CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000797115826 1046793015 /nfs/dbraw/zinc/79/30/15/1046793015.db2.gz QWFAVIJFKBGCJC-RDJZCZTQSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1c(F)cncc1F ZINC000797125200 1046793461 /nfs/dbraw/zinc/79/34/61/1046793461.db2.gz IKDJNCGXHCXTAY-ZDMBXUJBSA-N 0 1 322.330 4.104 20 10 DICDMN Cc1c(O)ccc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1O ZINC001140747530 1046885334 /nfs/dbraw/zinc/88/53/34/1046885334.db2.gz DPOPSYCKFAAFBR-MRXNPFEDSA-N 0 1 319.351 4.022 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC001140924132 1046950178 /nfs/dbraw/zinc/95/01/78/1046950178.db2.gz MKSRMLCMSZHNAB-SFHVURJKSA-N 0 1 315.848 4.138 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC001140924132 1046950184 /nfs/dbraw/zinc/95/01/84/1046950184.db2.gz MKSRMLCMSZHNAB-SFHVURJKSA-N 0 1 315.848 4.138 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC001140924131 1046950529 /nfs/dbraw/zinc/95/05/29/1046950529.db2.gz MKSRMLCMSZHNAB-GOSISDBHSA-N 0 1 315.848 4.138 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC001140924131 1046950538 /nfs/dbraw/zinc/95/05/38/1046950538.db2.gz MKSRMLCMSZHNAB-GOSISDBHSA-N 0 1 315.848 4.138 20 10 DICDMN Cc1cc(O)c(CNc2ccc(Cl)c(CN(C)C)c2)cc1C ZINC000798504043 1046959503 /nfs/dbraw/zinc/95/95/03/1046959503.db2.gz XXMWFFWHTFOKAA-UHFFFAOYSA-N 0 1 318.848 4.336 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798964770 1046994749 /nfs/dbraw/zinc/99/47/49/1046994749.db2.gz MWJWQIYBDYGVLF-NSHDSACASA-N 0 1 323.223 4.084 20 10 DICDMN Oc1ccccc1CN(Cc1ccco1)Cc1ccc(F)cc1 ZINC000096970791 1047005779 /nfs/dbraw/zinc/00/57/79/1047005779.db2.gz UPKKPZTUNFSYIE-UHFFFAOYSA-N 0 1 311.356 4.327 20 10 DICDMN Cc1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000096970877 1047007283 /nfs/dbraw/zinc/00/72/83/1047007283.db2.gz NHSSMJBZPKCHLW-UHFFFAOYSA-N 0 1 307.393 4.496 20 10 DICDMN COc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1C ZINC000098172994 1047162095 /nfs/dbraw/zinc/16/20/95/1047162095.db2.gz RQTMGJHWHPGXJX-QGZVFWFLSA-N 0 1 315.388 4.146 20 10 DICDMN FC(F)(F)CC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839138786 1047197059 /nfs/dbraw/zinc/19/70/59/1047197059.db2.gz TXMARGQNDWZTLL-UHFFFAOYSA-N 0 1 312.379 4.061 20 10 DICDMN CN(Cc1cccs1)c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000839141645 1047198859 /nfs/dbraw/zinc/19/88/59/1047198859.db2.gz UVCPERMCOFOROA-UHFFFAOYSA-N 0 1 322.424 4.081 20 10 DICDMN Cc1cc(NCc2cccc(Cl)c2[O-])ccc1C[NH+](C)C ZINC000839190181 1047204818 /nfs/dbraw/zinc/20/48/18/1047204818.db2.gz XDWUBGHJEPDZOS-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC000388597012 1047287822 /nfs/dbraw/zinc/28/78/22/1047287822.db2.gz UTKSMQKPGXLBHI-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN CS[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000840117256 1047287992 /nfs/dbraw/zinc/28/79/92/1047287992.db2.gz UCSQMQWDZUZSMA-CYBMUJFWSA-N 0 1 313.422 4.229 20 10 DICDMN CS[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000840117256 1047287995 /nfs/dbraw/zinc/28/79/95/1047287995.db2.gz UCSQMQWDZUZSMA-CYBMUJFWSA-N 0 1 313.422 4.229 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cc1F ZINC000390871200 1047302553 /nfs/dbraw/zinc/30/25/53/1047302553.db2.gz PENVPXPXBGBHLK-CYBMUJFWSA-N 0 1 316.395 4.198 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccnc(Cl)c2)cc1 ZINC000726230578 1047341766 /nfs/dbraw/zinc/34/17/66/1047341766.db2.gz JSNWKYOSFFCXRQ-UHFFFAOYSA-N 0 1 317.864 4.213 20 10 DICDMN C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc2ccccc2c1[O-] ZINC000840874996 1047351713 /nfs/dbraw/zinc/35/17/13/1047351713.db2.gz BTBWEHJEUHBNIF-CQSZACIVSA-N 0 1 313.441 4.401 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2CCC(OC(C)C)CC2)c(Cl)c1 ZINC000840907819 1047359300 /nfs/dbraw/zinc/35/93/00/1047359300.db2.gz RACGCOVINBHHIR-UHFFFAOYSA-N 0 1 311.853 4.180 20 10 DICDMN Cc1cc(O)c(CN(Cc2ccccn2)C(C)C)c(Cl)c1 ZINC000840911963 1047359773 /nfs/dbraw/zinc/35/97/73/1047359773.db2.gz WHRBCOQVRASYJZ-UHFFFAOYSA-N 0 1 304.821 4.160 20 10 DICDMN Cc1csc([C@H](NCc2ccc(N(C)C)cc2C)C2CC2)n1 ZINC000840935079 1047361426 /nfs/dbraw/zinc/36/14/26/1047361426.db2.gz DPJGTVRWYAIXKG-QGZVFWFLSA-N 0 1 315.486 4.067 20 10 DICDMN C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841744468 1047446806 /nfs/dbraw/zinc/44/68/06/1047446806.db2.gz OJKWJNHBNYGLOH-XHDPSFHLSA-N 0 1 324.877 4.061 20 10 DICDMN COCc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743140 1047446871 /nfs/dbraw/zinc/44/68/71/1047446871.db2.gz CXNQONATDZPTBD-GFCCVEGCSA-N 0 1 305.805 4.043 20 10 DICDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000841746467 1047448434 /nfs/dbraw/zinc/44/84/34/1047448434.db2.gz ZMOSZKJULHOLQW-GHMZBOCLSA-N 0 1 320.776 4.366 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1[O-] ZINC000841748271 1047448456 /nfs/dbraw/zinc/44/84/56/1047448456.db2.gz JTXRNQRQHTVMGZ-BMIGLBTASA-N 0 1 321.779 4.359 20 10 DICDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccc2c(c1)OCO2 ZINC000841745487 1047448696 /nfs/dbraw/zinc/44/86/96/1047448696.db2.gz YYPKYHQUYSYTJI-GHMZBOCLSA-N 0 1 319.788 4.186 20 10 DICDMN COCc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745276 1047448910 /nfs/dbraw/zinc/44/89/10/1047448910.db2.gz PHGJDPRBDAJIBN-GFCCVEGCSA-N 0 1 305.805 4.043 20 10 DICDMN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])CO2 ZINC000841751125 1047449950 /nfs/dbraw/zinc/44/99/50/1047449950.db2.gz KVVQIWWRHBFGIO-XHDPSFHLSA-N 0 1 303.789 4.138 20 10 DICDMN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])CO2 ZINC000841751120 1047450230 /nfs/dbraw/zinc/45/02/30/1047450230.db2.gz KVVQIWWRHBFGIO-ABAIWWIYSA-N 0 1 303.789 4.138 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(Cl)cc1[O-] ZINC000841751522 1047450247 /nfs/dbraw/zinc/45/02/47/1047450247.db2.gz HQNBXLZQXIWDIO-GFCCVEGCSA-N 0 1 316.832 4.170 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(Cl)cc1[O-] ZINC000841753751 1047451435 /nfs/dbraw/zinc/45/14/35/1047451435.db2.gz VPQZRFYZXIAAFY-MEBBXXQBSA-N 0 1 321.779 4.359 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(Cl)cc1[O-] ZINC000841751786 1047451716 /nfs/dbraw/zinc/45/17/16/1047451716.db2.gz JSAOFJIHULFJBU-GFCCVEGCSA-N 0 1 319.832 4.124 20 10 DICDMN COCC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc(C)o1 ZINC000841753833 1047452454 /nfs/dbraw/zinc/45/24/54/1047452454.db2.gz NQZUHZXAWPACLP-SWLSCSKDSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000841758225 1047453533 /nfs/dbraw/zinc/45/35/33/1047453533.db2.gz ABMBTAMHNZWALI-IAGOWNOFSA-N 0 1 317.816 4.358 20 10 DICDMN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841757277 1047454026 /nfs/dbraw/zinc/45/40/26/1047454026.db2.gz NCLWZBAMKHKDKT-FHSNZYRGSA-N 0 1 319.832 4.127 20 10 DICDMN CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1F ZINC000841763693 1047455537 /nfs/dbraw/zinc/45/55/37/1047455537.db2.gz OKLNREXONRHIJC-LLVKDONJSA-N 0 1 323.795 4.434 20 10 DICDMN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841765063 1047455574 /nfs/dbraw/zinc/45/55/74/1047455574.db2.gz UMBJVSIXYDPPBO-LBPRGKRZSA-N 0 1 320.820 4.080 20 10 DICDMN CCCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841765062 1047455685 /nfs/dbraw/zinc/45/56/85/1047455685.db2.gz UMBJVSIXYDPPBO-GFCCVEGCSA-N 0 1 320.820 4.080 20 10 DICDMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142512593 1047463889 /nfs/dbraw/zinc/46/38/89/1047463889.db2.gz FMHPMVMVMJWYFH-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001142525020 1047464815 /nfs/dbraw/zinc/46/48/15/1047464815.db2.gz UBOOLCFQHRPQBG-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN CCOc1cccc(CNC2(c3ccccc3Cl)CC2)c1O ZINC000842725288 1047499854 /nfs/dbraw/zinc/49/98/54/1047499854.db2.gz ZCEZPGBVEGHZCK-UHFFFAOYSA-N 0 1 317.816 4.223 20 10 DICDMN COc1ccccc1C1(N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842900178 1047511725 /nfs/dbraw/zinc/51/17/25/1047511725.db2.gz FYGNQSAMYGYPPD-HNNXBMFYSA-N 0 1 310.441 4.101 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])CC(F)F ZINC000842890854 1047511965 /nfs/dbraw/zinc/51/19/65/1047511965.db2.gz UKUMYQHSZUSZRG-BDAKNGLRSA-N 0 1 322.193 4.097 20 10 DICDMN CN(Cc1ccccc1F)Cc1cccc(C(C)(C)C)c1O ZINC001143110448 1047531856 /nfs/dbraw/zinc/53/18/56/1047531856.db2.gz GJTMWUVUGNZZMG-UHFFFAOYSA-N 0 1 301.405 4.461 20 10 DICDMN CCN(C)c1ccc(CN(C)[C@@H](C)c2ccccc2F)cc1 ZINC001307418667 1047820906 /nfs/dbraw/zinc/82/09/06/1047820906.db2.gz NYTAUKVPCBBYFB-HNNXBMFYSA-N 0 1 300.421 4.475 20 10 DICDMN CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001183095586 1047892518 /nfs/dbraw/zinc/89/25/18/1047892518.db2.gz RVCNGXXLRNWFPA-GOSISDBHSA-N 0 1 313.441 4.182 20 10 DICDMN CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001183095586 1047892526 /nfs/dbraw/zinc/89/25/26/1047892526.db2.gz RVCNGXXLRNWFPA-GOSISDBHSA-N 0 1 313.441 4.182 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3[nH]ccc32)cc1Cl ZINC001183481827 1047933545 /nfs/dbraw/zinc/93/35/45/1047933545.db2.gz IUFHLVGUPHXDPW-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN Oc1c(F)cc(Cl)cc1CN[C@@H](c1ccccc1)C(F)F ZINC001184461501 1048043715 /nfs/dbraw/zinc/04/37/15/1048043715.db2.gz BPDVPZIMFNFJNV-ZDUSSCGKSA-N 0 1 315.722 4.281 20 10 DICDMN CC(C)=C(C)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160599290 1048070211 /nfs/dbraw/zinc/07/02/11/1048070211.db2.gz HWDOUEIJCZKAGL-UHFFFAOYSA-N 0 1 302.201 4.062 20 10 DICDMN C[C@@H](NCc1ncccc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000776005415 1048083443 /nfs/dbraw/zinc/08/34/43/1048083443.db2.gz BESRYVWLZGEWIW-GFCCVEGCSA-N 0 1 323.362 4.017 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2CCC(C(F)F)CC2)c(Cl)c1 ZINC000842219766 1048237349 /nfs/dbraw/zinc/23/73/49/1048237349.db2.gz DDBIGRPZXRJKAZ-UHFFFAOYSA-N 0 1 303.780 4.268 20 10 DICDMN COc1ccnc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001163488464 1048477951 /nfs/dbraw/zinc/47/79/51/1048477951.db2.gz ZUKYEAPHXBELCR-SFHVURJKSA-N 0 1 312.413 4.148 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(F)c1F ZINC000776305168 1048562754 /nfs/dbraw/zinc/56/27/54/1048562754.db2.gz DBZFFNDOEQJHBE-ZDUSSCGKSA-N 0 1 316.395 4.198 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365697 1048640656 /nfs/dbraw/zinc/64/06/56/1048640656.db2.gz ZGYYIAJYFKQAIF-UHFFFAOYSA-N 0 1 321.779 4.016 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccccn1 ZINC000850481325 1048669820 /nfs/dbraw/zinc/66/98/20/1048669820.db2.gz GKIGGLZMKUENJM-CABCVRRESA-N 0 1 306.409 4.395 20 10 DICDMN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1cscn1 ZINC000850512234 1048675322 /nfs/dbraw/zinc/67/53/22/1048675322.db2.gz YUQOPAVSJYISBH-NWDGAFQWSA-N 0 1 302.443 4.139 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543540 1048687582 /nfs/dbraw/zinc/68/75/82/1048687582.db2.gz LTNLZIWUMVUJAZ-MGPLVRAMSA-N 0 1 303.789 4.089 20 10 DICDMN CC[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000775393876 1048749442 /nfs/dbraw/zinc/74/94/42/1048749442.db2.gz JHXXRLFGAQJORJ-IBGZPJMESA-N 0 1 315.388 4.149 20 10 DICDMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001190913439 1048804019 /nfs/dbraw/zinc/80/40/19/1048804019.db2.gz KZTKIFXXRJXKFK-NWDGAFQWSA-N 0 1 307.409 4.133 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3CCCC3)C2)c1[O-] ZINC001176932252 1048804966 /nfs/dbraw/zinc/80/49/66/1048804966.db2.gz GJIKXWWXRZATKG-OAHLLOKOSA-N 0 1 319.420 4.136 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)c1[O-] ZINC001176932252 1048804986 /nfs/dbraw/zinc/80/49/86/1048804986.db2.gz GJIKXWWXRZATKG-OAHLLOKOSA-N 0 1 319.420 4.136 20 10 DICDMN COc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1Cl ZINC000851949786 1048815688 /nfs/dbraw/zinc/81/56/88/1048815688.db2.gz JIAPSKQKLDOBPZ-CYBMUJFWSA-N 0 1 318.848 4.265 20 10 DICDMN CCCN(Cc1nc2c(s1)CCCC2)Cc1ccccc1O ZINC000776610121 1048851453 /nfs/dbraw/zinc/85/14/53/1048851453.db2.gz RXVBOULDISVEDH-UHFFFAOYSA-N 0 1 316.470 4.140 20 10 DICDMN CC(C)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001177370733 1048874303 /nfs/dbraw/zinc/87/43/03/1048874303.db2.gz LNSPKOGYSOVFBH-UHFFFAOYSA-N 0 1 323.484 4.174 20 10 DICDMN CN(CCCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC001177446590 1048895495 /nfs/dbraw/zinc/89/54/95/1048895495.db2.gz URVATEXIPHLYNA-UHFFFAOYSA-N 0 1 318.848 4.052 20 10 DICDMN COc1cccc(CN2CCC[C@H]2c2cc(F)ccc2F)c1O ZINC001203595534 1048937001 /nfs/dbraw/zinc/93/70/01/1048937001.db2.gz HOUBDFKCHLIUMR-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCOC2CCCCCC2)c(Cl)c1 ZINC001177875567 1048949469 /nfs/dbraw/zinc/94/94/69/1048949469.db2.gz MDISHHTWUHBOFG-UHFFFAOYSA-N 0 1 311.853 4.183 20 10 DICDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cc1 ZINC001203658510 1048951528 /nfs/dbraw/zinc/95/15/28/1048951528.db2.gz YQTQZEKYFOMENZ-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cc1 ZINC001203658510 1048951538 /nfs/dbraw/zinc/95/15/38/1048951538.db2.gz YQTQZEKYFOMENZ-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN Oc1ccc(Cl)cc1CN1CCSC[C@@H]1c1ccccc1 ZINC001203658530 1048951895 /nfs/dbraw/zinc/95/18/95/1048951895.db2.gz ZQRYXPXTRHNQTJ-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001203658530 1048951911 /nfs/dbraw/zinc/95/19/11/1048951911.db2.gz ZQRYXPXTRHNQTJ-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001203658530 1048951923 /nfs/dbraw/zinc/95/19/23/1048951923.db2.gz ZQRYXPXTRHNQTJ-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC001203664688 1048953353 /nfs/dbraw/zinc/95/33/53/1048953353.db2.gz PZNUXYAMPBASTH-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(Cl)ccc1[O-] ZINC001203664688 1048953367 /nfs/dbraw/zinc/95/33/67/1048953367.db2.gz PZNUXYAMPBASTH-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854227600 1048953802 /nfs/dbraw/zinc/95/38/02/1048953802.db2.gz WNVKORZBYCANPQ-DLBZAZTESA-N 0 1 316.832 4.356 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775482796 1049002554 /nfs/dbraw/zinc/00/25/54/1049002554.db2.gz BFGDLCXUDWIDQC-MRXNPFEDSA-N 0 1 305.805 4.295 20 10 DICDMN CC[C@H]([NH2+]Cc1ccccc1COC)c1cc(Cl)ccc1[O-] ZINC000775488451 1049003966 /nfs/dbraw/zinc/00/39/66/1049003966.db2.gz ULSNDYOQJWFYFF-KRWDZBQOSA-N 0 1 319.832 4.433 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000775490664 1049013566 /nfs/dbraw/zinc/01/35/66/1049013566.db2.gz CZGNRBGAWCKKCW-ZDUSSCGKSA-N 0 1 311.212 4.335 20 10 DICDMN Oc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1O ZINC001203882502 1049020384 /nfs/dbraw/zinc/02/03/84/1049020384.db2.gz JPPPYAFXBAYQCO-UHFFFAOYSA-N 0 1 319.404 4.300 20 10 DICDMN Oc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)cc1O ZINC001203875587 1049021696 /nfs/dbraw/zinc/02/16/96/1049021696.db2.gz QXDRVQSUZYRCAY-UHFFFAOYSA-N 0 1 315.800 4.041 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1F ZINC000113312983 1049031392 /nfs/dbraw/zinc/03/13/92/1049031392.db2.gz WSZJXBKVIIPAFA-NSHDSACASA-N 0 1 308.347 4.021 20 10 DICDMN CCc1nc(CC[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])cs1 ZINC000775499915 1049033338 /nfs/dbraw/zinc/03/33/38/1049033338.db2.gz HBZRHSHWRBUBLE-AWEZNQCLSA-N 0 1 324.877 4.348 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775497773 1049033850 /nfs/dbraw/zinc/03/38/50/1049033850.db2.gz FPRSLPONBYUFMO-NVXWUHKLSA-N 0 1 311.853 4.028 20 10 DICDMN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 ZINC001203937137 1049036080 /nfs/dbraw/zinc/03/60/80/1049036080.db2.gz MGUIMHIOOXCWEZ-HXUWFJFHSA-N 0 1 324.468 4.236 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000775498766 1049037749 /nfs/dbraw/zinc/03/77/49/1049037749.db2.gz NSTDNOYXLAITST-SJKOYZFVSA-N 0 1 319.832 4.423 20 10 DICDMN CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775503916 1049047481 /nfs/dbraw/zinc/04/74/81/1049047481.db2.gz PRQNUSZLJZQDOI-WMZOPIPTSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775509634 1049051911 /nfs/dbraw/zinc/05/19/11/1049051911.db2.gz SYCVNZQQPURUOT-UOJCXKCYSA-N 0 1 323.864 4.290 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775509406 1049052877 /nfs/dbraw/zinc/05/28/77/1049052877.db2.gz LREXEUVQOQVAPX-QLJPJBMISA-N 0 1 322.836 4.322 20 10 DICDMN CC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775509633 1049053047 /nfs/dbraw/zinc/05/30/47/1049053047.db2.gz NYZFMNFLOWMECA-DLBZAZTESA-N 0 1 319.832 4.210 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775511820 1049054939 /nfs/dbraw/zinc/05/49/39/1049054939.db2.gz JYYNVBUCLISZMF-WBMJQRKESA-N 0 1 304.821 4.285 20 10 DICDMN CC[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775514396 1049061190 /nfs/dbraw/zinc/06/11/90/1049061190.db2.gz ZYJDTHFGRXPKMZ-HNNXBMFYSA-N 0 1 311.853 4.029 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000775520887 1049071314 /nfs/dbraw/zinc/07/13/14/1049071314.db2.gz ZYCRRXISJBMATR-OAHLLOKOSA-N 0 1 320.776 4.195 20 10 DICDMN CC[C@@H]([NH2+]CCc1cnc(C)s1)c1cc(Cl)ccc1[O-] ZINC000775522712 1049083008 /nfs/dbraw/zinc/08/30/08/1049083008.db2.gz YMPSNHJUQVNLHK-CQSZACIVSA-N 0 1 310.850 4.094 20 10 DICDMN CC[C@H]([NH2+][C@H](COC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524960 1049088491 /nfs/dbraw/zinc/08/84/91/1049088491.db2.gz VGTTVLZKZWQXBB-DLBZAZTESA-N 0 1 319.832 4.474 20 10 DICDMN CC[C@@H]([NH2+][C@@H](COC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524970 1049089357 /nfs/dbraw/zinc/08/93/57/1049089357.db2.gz VGTTVLZKZWQXBB-SJORKVTESA-N 0 1 319.832 4.474 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000775527036 1049093082 /nfs/dbraw/zinc/09/30/82/1049093082.db2.gz VTLHXHMYZWVUQS-SDNTUTLCSA-N 0 1 321.848 4.044 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C1CCCCC1 ZINC001192585623 1049119798 /nfs/dbraw/zinc/11/97/98/1049119798.db2.gz XZCPCOULRLBYEK-KRWDZBQOSA-N 0 1 307.409 4.182 20 10 DICDMN F[C@]1(c2ccccc2)C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001178998955 1049121436 /nfs/dbraw/zinc/12/14/36/1049121436.db2.gz VBYRBCSUIXAPGI-PMACEKPBSA-N 0 1 310.416 4.014 20 10 DICDMN CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000857059440 1049124300 /nfs/dbraw/zinc/12/43/00/1049124300.db2.gz PQSXPFZQLXSJHO-ZYHUDNBSSA-N 0 1 323.305 4.497 20 10 DICDMN CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000857059439 1049124713 /nfs/dbraw/zinc/12/47/13/1049124713.db2.gz PQSXPFZQLXSJHO-PWSUYJOCSA-N 0 1 323.305 4.497 20 10 DICDMN COc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000857081684 1049125826 /nfs/dbraw/zinc/12/58/26/1049125826.db2.gz QDEVYFLGCGXMJK-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC[C@H](NCc1cc(OC)ccc1F)c1ccc(N(C)C)cc1 ZINC000857081397 1049126340 /nfs/dbraw/zinc/12/63/40/1049126340.db2.gz OGYHUQBEDFFVTN-IBGZPJMESA-N 0 1 316.420 4.141 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)c1[O-] ZINC000775549709 1049139187 /nfs/dbraw/zinc/13/91/87/1049139187.db2.gz OZKWJQFYOBTHEL-LLVKDONJSA-N 0 1 319.351 4.032 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001204323803 1049142524 /nfs/dbraw/zinc/14/25/24/1049142524.db2.gz PAJNKKDIRGTYJB-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN CC[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775554590 1049147468 /nfs/dbraw/zinc/14/74/68/1049147468.db2.gz BVDUYCNEGSGPAV-ZBFHGGJFSA-N 0 1 311.853 4.436 20 10 DICDMN CC[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000775553392 1049148256 /nfs/dbraw/zinc/14/82/56/1049148256.db2.gz BKILLFFXJOXXIF-JQHSSLGASA-N 0 1 323.864 4.292 20 10 DICDMN CCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000857507451 1049165749 /nfs/dbraw/zinc/16/57/49/1049165749.db2.gz GGWFJPUYFHQIJP-UHFFFAOYSA-N 0 1 324.207 4.191 20 10 DICDMN Cc1ccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858107227 1049217589 /nfs/dbraw/zinc/21/75/89/1049217589.db2.gz KECGRTGZEJLFEE-LLVKDONJSA-N 0 1 310.413 4.252 20 10 DICDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1c1ccccc1 ZINC001204679874 1049222469 /nfs/dbraw/zinc/22/24/69/1049222469.db2.gz BHTBGBMMVCIWHH-APPDUMDISA-N 0 1 305.780 4.378 20 10 DICDMN C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001179937976 1049234453 /nfs/dbraw/zinc/23/44/53/1049234453.db2.gz REJMVIZGOOMWCN-APPDUMDISA-N 0 1 321.342 4.393 20 10 DICDMN Cc1cc(CNCc2ccncc2F)c(C)n1-c1cccc(C)c1 ZINC000858293173 1049236860 /nfs/dbraw/zinc/23/68/60/1049236860.db2.gz KHJHNINFZJXVOW-UHFFFAOYSA-N 0 1 323.415 4.226 20 10 DICDMN Cc1cc(CNCc2ccnn2C(C)C)c(C)n1-c1ccccc1 ZINC000858293341 1049237066 /nfs/dbraw/zinc/23/70/66/1049237066.db2.gz LMMAHFGTUIUOOQ-UHFFFAOYSA-N 0 1 322.456 4.161 20 10 DICDMN CCN(Cc1ccc(C)cc1)Cc1cc(F)c(N(C)C)cc1F ZINC001179909578 1049237942 /nfs/dbraw/zinc/23/79/42/1049237942.db2.gz OWTCSYRVSOBFJC-UHFFFAOYSA-N 0 1 318.411 4.361 20 10 DICDMN CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001179909734 1049238440 /nfs/dbraw/zinc/23/84/40/1049238440.db2.gz SXHFDIOXQJAFFN-IBGZPJMESA-N 0 1 317.379 4.426 20 10 DICDMN CC[C@@H](NCc1cc(C)n(-c2ccccc2)c1C)c1nccn1C ZINC000858542216 1049272399 /nfs/dbraw/zinc/27/23/99/1049272399.db2.gz JKCKXTTYLOWUIG-LJQANCHMSA-N 0 1 322.456 4.069 20 10 DICDMN C[C@@H](NC1(c2c(F)cccc2F)CCC1)c1ccccc1O ZINC000858603008 1049283066 /nfs/dbraw/zinc/28/30/66/1049283066.db2.gz PAZVIDUOAFQSDR-GFCCVEGCSA-N 0 1 303.352 4.400 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1ccc(F)c(F)c1F ZINC001180188563 1049297955 /nfs/dbraw/zinc/29/79/55/1049297955.db2.gz GTGSFAITOXMMIW-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180262557 1049324858 /nfs/dbraw/zinc/32/48/58/1049324858.db2.gz ZBWVTCSOLRCGBT-CYBMUJFWSA-N 0 1 309.381 4.241 20 10 DICDMN [O-]c1ccc(F)cc1C[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC001180339641 1049338621 /nfs/dbraw/zinc/33/86/21/1049338621.db2.gz PWKFRNDYLQBNQL-UHFFFAOYSA-N 0 1 313.416 4.424 20 10 DICDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC001180394072 1049351613 /nfs/dbraw/zinc/35/16/13/1049351613.db2.gz RQGYSUDSMLIRMC-PLNGDYQASA-N 0 1 316.395 4.176 20 10 DICDMN Cc1ccc([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cc1 ZINC001180821483 1049408285 /nfs/dbraw/zinc/40/82/85/1049408285.db2.gz ZQTTVWDIHACBEB-AWEZNQCLSA-N 0 1 319.807 4.483 20 10 DICDMN CC(C)Oc1ccc(N(C)Cc2ccc(F)c(F)c2O)cc1 ZINC001180872692 1049413173 /nfs/dbraw/zinc/41/31/73/1049413173.db2.gz FBJRSRLLURPGCQ-UHFFFAOYSA-N 0 1 307.340 4.094 20 10 DICDMN CC(C)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])Cc1ccccc1 ZINC001180997791 1049426309 /nfs/dbraw/zinc/42/63/09/1049426309.db2.gz ZBTKQXJPFNARIJ-INIZCTEOSA-N 0 1 301.405 4.136 20 10 DICDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001205291696 1049429365 /nfs/dbraw/zinc/42/93/65/1049429365.db2.gz OQDYGOASGPDUAZ-LRDDRELGSA-N 0 1 302.805 4.024 20 10 DICDMN Cc1ccc(F)c(CN(C)C/C=C\c2ccc(N(C)C)cc2)c1 ZINC001181276303 1049459747 /nfs/dbraw/zinc/45/97/47/1049459747.db2.gz LUGOVVACTADVMC-WAYWQWQTSA-N 0 1 312.432 4.345 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(Cl)c1 ZINC001181350521 1049465940 /nfs/dbraw/zinc/46/59/40/1049465940.db2.gz SKXQOQGVZNWPSZ-KOLCDFICSA-N 0 1 307.743 4.127 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(Cl)c1 ZINC001181350521 1049465948 /nfs/dbraw/zinc/46/59/48/1049465948.db2.gz SKXQOQGVZNWPSZ-KOLCDFICSA-N 0 1 307.743 4.127 20 10 DICDMN CN(C)c1ccc(/C=C\CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC001205526552 1049491233 /nfs/dbraw/zinc/49/12/33/1049491233.db2.gz ACXGGOXQKZMYDU-IZRJCCQOSA-N 0 1 324.443 4.337 20 10 DICDMN CCc1ccc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)cc1 ZINC001181577918 1049491768 /nfs/dbraw/zinc/49/17/68/1049491768.db2.gz WFHTXDNPYFIZCQ-QGZVFWFLSA-N 0 1 313.416 4.473 20 10 DICDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC000775648514 1049510861 /nfs/dbraw/zinc/51/08/61/1049510861.db2.gz VTVPXNZSADRTRU-MRXNPFEDSA-N 0 1 305.780 4.304 20 10 DICDMN CC[C@H](NCc1cc(-c2ccccc2)on1)c1ccccc1O ZINC000155557501 1049514964 /nfs/dbraw/zinc/51/49/64/1049514964.db2.gz QWTPJFXNTKXMSC-KRWDZBQOSA-N 0 1 308.381 4.288 20 10 DICDMN C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775657636 1049534950 /nfs/dbraw/zinc/53/49/50/1049534950.db2.gz DKYZJMLEAYXDLC-LBPRGKRZSA-N 0 1 303.789 4.001 20 10 DICDMN CO[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC001181871095 1049536046 /nfs/dbraw/zinc/53/60/46/1049536046.db2.gz SLGALBOFZWKENW-NRFANRHFSA-N 0 1 321.420 4.197 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001205907574 1049596380 /nfs/dbraw/zinc/59/63/80/1049596380.db2.gz JVADIRHSIMQUKO-HNNXBMFYSA-N 0 1 301.817 4.425 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000775682467 1049603204 /nfs/dbraw/zinc/60/32/04/1049603204.db2.gz XYPQFAAZCSWGHP-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN Cc1c(NCc2ccc(F)c(F)c2O)cccc1-c1ncco1 ZINC000864013150 1049617785 /nfs/dbraw/zinc/61/77/85/1049617785.db2.gz LOHYUXCKEBCIQX-UHFFFAOYSA-N 0 1 316.307 4.246 20 10 DICDMN 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[O-]c1c(F)cccc1C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC001474489427 1062165926 /nfs/dbraw/zinc/16/59/26/1062165926.db2.gz YVOZXJIIIVJWQA-UHFFFAOYSA-N 0 1 317.791 4.474 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC001459518617 1062180208 /nfs/dbraw/zinc/18/02/08/1062180208.db2.gz VUIRYDRTTGZZNM-LJQANCHMSA-N 0 1 316.395 4.368 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC001474515772 1062197560 /nfs/dbraw/zinc/19/75/60/1062197560.db2.gz IJSHSTCQSAGOOW-UHFFFAOYSA-N 0 1 317.791 4.474 20 10 DICDMN CN(C)c1ccc(/C=C\CN2CC(c3ccc(F)cc3)C2)cc1 ZINC001474567448 1062271778 /nfs/dbraw/zinc/27/17/78/1062271778.db2.gz JQAZLZSGYOGLRT-ARJAWSKDSA-N 0 1 310.416 4.004 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001474574067 1062282514 /nfs/dbraw/zinc/28/25/14/1062282514.db2.gz PJMVQQWFHLNHDY-WBVHZDCISA-N 0 1 317.379 4.439 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)cc1Cl ZINC001474622161 1062342700 /nfs/dbraw/zinc/34/27/00/1062342700.db2.gz 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ZINC001308574492 1066088805 /nfs/dbraw/zinc/08/88/05/1066088805.db2.gz VXWAIHQZIJQQKQ-SJCJKPOMSA-N 0 1 303.352 4.254 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001308594814 1066106692 /nfs/dbraw/zinc/10/66/92/1066106692.db2.gz RPOUIBFOZCCBNG-GOEBONIOSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001308594814 1066106695 /nfs/dbraw/zinc/10/66/95/1066106695.db2.gz RPOUIBFOZCCBNG-GOEBONIOSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1ccc(OCC[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC001308653976 1066139163 /nfs/dbraw/zinc/13/91/63/1066139163.db2.gz SPXXGTYZSVQGJJ-UHFFFAOYSA-N 0 1 323.795 4.004 20 10 DICDMN CCCN(Cc1cc(C(C)C)ccc1O)[C@@H](CC)C(=O)OCC ZINC001308685913 1066155143 /nfs/dbraw/zinc/15/51/43/1066155143.db2.gz KRYZNGUCELZARZ-KRWDZBQOSA-N 0 1 321.461 4.069 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC001308715985 1066195848 /nfs/dbraw/zinc/19/58/48/1066195848.db2.gz RPFHHCYBKQBVCI-STQMWFEESA-N 0 1 311.853 4.037 20 10 DICDMN CC(C)[N@@H+](Cc1c([O-])cccc1Br)CC1CCC1 ZINC001308722719 1066198858 /nfs/dbraw/zinc/19/88/58/1066198858.db2.gz BZOBEFHMBNWCRG-UHFFFAOYSA-N 0 1 312.251 4.165 20 10 DICDMN CC(C)[N@H+](Cc1c([O-])cccc1Br)CC1CCC1 ZINC001308722719 1066198859 /nfs/dbraw/zinc/19/88/59/1066198859.db2.gz BZOBEFHMBNWCRG-UHFFFAOYSA-N 0 1 312.251 4.165 20 10 DICDMN CCc1cccc(CNc2ccc(Cl)c(CN(C)C)c2)c1O ZINC001308720242 1066198980 /nfs/dbraw/zinc/19/89/80/1066198980.db2.gz KJTHTMFJIAEGLF-UHFFFAOYSA-N 0 1 318.848 4.282 20 10 DICDMN CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](O)c1ccccc1 ZINC001308736038 1066210780 /nfs/dbraw/zinc/21/07/80/1066210780.db2.gz NBLFNTPPPJUWSQ-SJLPKXTDSA-N 0 1 319.832 4.038 20 10 DICDMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001308801988 1066277238 /nfs/dbraw/zinc/27/72/38/1066277238.db2.gz RMCTWVPCWSNVPJ-GFCCVEGCSA-N 0 1 314.267 4.474 20 10 DICDMN C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308849265 1066326307 /nfs/dbraw/zinc/32/63/07/1066326307.db2.gz BPJGNGAAEFTSHB-SFHVURJKSA-N 0 1 319.807 4.348 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927758 1066403270 /nfs/dbraw/zinc/40/32/70/1066403270.db2.gz KCUUWCBJHITZQJ-CYBMUJFWSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927758 1066403278 /nfs/dbraw/zinc/40/32/78/1066403278.db2.gz KCUUWCBJHITZQJ-CYBMUJFWSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927758 1066403287 /nfs/dbraw/zinc/40/32/87/1066403287.db2.gz KCUUWCBJHITZQJ-CYBMUJFWSA-N 0 1 307.743 4.128 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)ccc2ccccc21 ZINC001308952925 1066416913 /nfs/dbraw/zinc/41/69/13/1066416913.db2.gz PJQPOQQKMORKAZ-KRWDZBQOSA-N 0 1 311.425 4.127 20 10 DICDMN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273430392 130120735 /nfs/dbraw/zinc/12/07/35/130120735.db2.gz VLHPDOJSFDSIII-NEPJUHHUSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1ccc(O)c([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000273505255 130129729 /nfs/dbraw/zinc/12/97/29/130129729.db2.gz QXOVAMYVYOHMQK-LLVKDONJSA-N 0 1 320.776 4.113 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000273516548 130131131 /nfs/dbraw/zinc/13/11/31/130131131.db2.gz SNYGZOFNQIZENX-GDBMZVCRSA-N 0 1 311.425 4.298 20 10 DICDMN Cc1csc(C2(N[C@@H](C)c3cc(C)ccc3O)CCC2)n1 ZINC000273542900 130135056 /nfs/dbraw/zinc/13/50/56/130135056.db2.gz YQYKNKAUOVRCLM-ZDUSSCGKSA-N 0 1 302.443 4.196 20 10 DICDMN Cc1ccc([C@@H](C)N[C@@H](C)c2c(F)cncc2F)c(O)c1C ZINC000285540113 131178986 /nfs/dbraw/zinc/17/89/86/131178986.db2.gz DEPGWXNBLHGGKU-NEPJUHHUSA-N 0 1 306.356 4.094 20 10 DICDMN CC[C@H](NCc1cc(F)cnc1Cl)c1ccc(N(C)C)cc1 ZINC000297340830 132011142 /nfs/dbraw/zinc/01/11/42/132011142.db2.gz OMPUMAAACMJYOE-INIZCTEOSA-N 0 1 321.827 4.181 20 10 DICDMN C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1O ZINC000183546160 333058942 /nfs/dbraw/zinc/05/89/42/333058942.db2.gz OZMYUQNMJHWPLF-ZIFCJYIRSA-N 0 1 324.468 4.096 20 10 DICDMN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000186034258 333216518 /nfs/dbraw/zinc/21/65/18/333216518.db2.gz YWMRGMLRZIWBLY-LRDDRELGSA-N 0 1 305.805 4.084 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000274946516 334067952 /nfs/dbraw/zinc/06/79/52/334067952.db2.gz UMRYKMWDUUJLGP-AWEZNQCLSA-N 0 1 317.864 4.432 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000475201669 339441448 /nfs/dbraw/zinc/44/14/48/339441448.db2.gz JJAMHTYYYGDLQV-SUMWQHHRSA-N 0 1 308.425 4.493 20 10 DICDMN CCOC1CC(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000189266832 521645796 /nfs/dbraw/zinc/64/57/96/521645796.db2.gz HWYHCZIGMSSNLF-UQPPLGOBSA-N 0 1 313.441 4.401 20 10 DICDMN CC[C@H](NCc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000182121427 522644391 /nfs/dbraw/zinc/64/43/91/522644391.db2.gz ZBDVNHKAPYGOMH-KRWDZBQOSA-N 0 1 303.837 4.042 20 10 DICDMN COc1ccc(O)c([C@H](C)NCc2nc(C(C)(C)C)cs2)c1 ZINC000182414440 524771447 /nfs/dbraw/zinc/77/14/47/524771447.db2.gz KLLAUHXFQIUPBG-NSHDSACASA-N 0 1 320.458 4.006 20 10 DICDMN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccccn1 ZINC000159067413 525445021 /nfs/dbraw/zinc/44/50/21/525445021.db2.gz UEHFLYPQVQYJFM-KRWDZBQOSA-N 0 1 309.457 4.169 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000157635229 525686584 /nfs/dbraw/zinc/68/65/84/525686584.db2.gz ZWVVJKVWGMBIFS-AZOIQLNYSA-N 0 1 311.425 4.154 20 10 DICDMN CC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1nc(C)cs1 ZINC000294373462 535805846 /nfs/dbraw/zinc/80/58/46/535805846.db2.gz BCTYGOOBYSNEGL-OAHLLOKOSA-N 0 1 303.475 4.067 20 10 DICDMN COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3C3CCC3)c2c1 ZINC000728199595 1035726057 /nfs/dbraw/zinc/72/60/57/1035726057.db2.gz NFNRVQWNRXQADT-LJQANCHMSA-N 0 1 311.425 4.319 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3C3CCC3)c2c1 ZINC000728199595 1035726070 /nfs/dbraw/zinc/72/60/70/1035726070.db2.gz NFNRVQWNRXQADT-LJQANCHMSA-N 0 1 311.425 4.319 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3C3CCC3)c2c1 ZINC000728199595 1035726089 /nfs/dbraw/zinc/72/60/89/1035726089.db2.gz NFNRVQWNRXQADT-LJQANCHMSA-N 0 1 311.425 4.319 20 10 DICDMN Oc1ccccc1C[N@H+](C[C@@H](O)CC1CCCC1)C1CCCC1 ZINC001167353938 1036952868 /nfs/dbraw/zinc/95/28/68/1036952868.db2.gz SQFQSTYRUZDWQM-IBGZPJMESA-N 0 1 317.473 4.078 20 10 DICDMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000160555316 1037210362 /nfs/dbraw/zinc/21/03/62/1037210362.db2.gz HZEGDEVQWRGNPF-ZDUSSCGKSA-N 0 1 318.848 4.265 20 10 DICDMN CC[C@@H]([NH2+]CCC(C)(F)F)c1cc(Br)ccc1[O-] ZINC000386199456 1037225818 /nfs/dbraw/zinc/22/58/18/1037225818.db2.gz SRPKIIVBRHBRLD-LLVKDONJSA-N 0 1 322.193 4.241 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001140341355 1037482730 /nfs/dbraw/zinc/48/27/30/1037482730.db2.gz JGLGIVCHKQFBCC-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001140341355 1037482741 /nfs/dbraw/zinc/48/27/41/1037482741.db2.gz JGLGIVCHKQFBCC-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN CCC(C)(C)[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706854346 1037502258 /nfs/dbraw/zinc/50/22/58/1037502258.db2.gz ZGUKBTZHEZAVIA-SNVBAGLBSA-N 0 1 300.240 4.069 20 10 DICDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000706852049 1037503064 /nfs/dbraw/zinc/50/30/64/1037503064.db2.gz KDGCXYYCIHQVSP-NSHDSACASA-N 0 1 306.203 4.006 20 10 DICDMN CCCc1ncc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000834898206 1037727706 /nfs/dbraw/zinc/72/77/06/1037727706.db2.gz ACVJQEVBOBHCDD-NSHDSACASA-N 0 1 308.809 4.145 20 10 DICDMN CCC[N@H+](Cc1c(O)cccc1Br)CC(C)C ZINC000707158666 1037844511 /nfs/dbraw/zinc/84/45/11/1037844511.db2.gz BWWDDDNYUZFEFA-UHFFFAOYSA-N 0 1 300.240 4.023 20 10 DICDMN CCC[N@@H+](Cc1c([O-])cccc1Br)CC(C)C ZINC000707158666 1037844530 /nfs/dbraw/zinc/84/45/30/1037844530.db2.gz BWWDDDNYUZFEFA-UHFFFAOYSA-N 0 1 300.240 4.023 20 10 DICDMN CCC[N@H+](Cc1c([O-])cccc1Br)CC(C)C ZINC000707158666 1037844549 /nfs/dbraw/zinc/84/45/49/1037844549.db2.gz BWWDDDNYUZFEFA-UHFFFAOYSA-N 0 1 300.240 4.023 20 10 DICDMN COc1ccc(CNCc2ccccc2Br)cc1C ZINC000048820119 1038670059 /nfs/dbraw/zinc/67/00/59/1038670059.db2.gz UHVVCDGJSQHCAU-UHFFFAOYSA-N 0 1 320.230 4.056 20 10 DICDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132216 1038956637 /nfs/dbraw/zinc/95/66/37/1038956637.db2.gz CDDZLFMIDQEVJP-LLVKDONJSA-N 0 1 318.642 4.183 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc(Cl)ccc1[O-] ZINC000278450968 1039479532 /nfs/dbraw/zinc/47/95/32/1039479532.db2.gz LNPDCBBESYMPLF-GFCCVEGCSA-N 0 1 316.832 4.170 20 10 DICDMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000708481335 1039655619 /nfs/dbraw/zinc/65/56/19/1039655619.db2.gz CGKNXBPYXCOEIC-GFCCVEGCSA-N 0 1 312.251 4.167 20 10 DICDMN CCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000708481335 1039655625 /nfs/dbraw/zinc/65/56/25/1039655625.db2.gz CGKNXBPYXCOEIC-GFCCVEGCSA-N 0 1 312.251 4.167 20 10 DICDMN CCC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000708481335 1039655633 /nfs/dbraw/zinc/65/56/33/1039655633.db2.gz CGKNXBPYXCOEIC-GFCCVEGCSA-N 0 1 312.251 4.167 20 10 DICDMN CCN(CC)c1ccc(CN[C@H](C)c2c(C)noc2C)cc1F ZINC000152254763 1040006856 /nfs/dbraw/zinc/00/68/56/1040006856.db2.gz MWQDFRNGTOSQKT-GFCCVEGCSA-N 0 1 319.424 4.128 20 10 DICDMN Cc1cccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000280062089 1040129681 /nfs/dbraw/zinc/12/96/81/1040129681.db2.gz KJVFKOHROLKCEL-OAHLLOKOSA-N 0 1 306.409 4.142 20 10 DICDMN CCc1cnc(CN[C@H](C)c2cc(Cl)cc(C)c2O)s1 ZINC000808699550 1041009346 /nfs/dbraw/zinc/00/93/46/1041009346.db2.gz JTFLMRKSJUBOFH-SNVBAGLBSA-N 0 1 310.850 4.224 20 10 DICDMN COC1CCC(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808700672 1041009587 /nfs/dbraw/zinc/00/95/87/1041009587.db2.gz JRBQCGBLFMVMQB-DNOWBOINSA-N 0 1 311.853 4.210 20 10 DICDMN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808701137 1041011159 /nfs/dbraw/zinc/01/11/59/1041011159.db2.gz XATJBRGLFKEXSK-ZDUSSCGKSA-N 0 1 313.869 4.193 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809688620 1041224571 /nfs/dbraw/zinc/22/45/71/1041224571.db2.gz NGQFHLAIOUGRKT-UHFFFAOYSA-N 0 1 307.752 4.067 20 10 DICDMN CCCCN(Cc1cc(C(C)(C)C)on1)Cc1ccccc1O ZINC000810003727 1041295451 /nfs/dbraw/zinc/29/54/51/1041295451.db2.gz DBTWVNHYRWLXTA-UHFFFAOYSA-N 0 1 316.445 4.480 20 10 DICDMN CC[C@@H]([NH2+]CC(O)(CC)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215234 1041338471 /nfs/dbraw/zinc/33/84/71/1041338471.db2.gz UHUFTUAQSNUCHV-CYBMUJFWSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@H]([NH2+]CCCSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217700 1041338494 /nfs/dbraw/zinc/33/84/94/1041338494.db2.gz AETRAQLLUWIRBM-LBPRGKRZSA-N 0 1 307.381 4.205 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221151 1041340358 /nfs/dbraw/zinc/34/03/58/1041340358.db2.gz LQSHGXXNCPBAND-YPMHNXCESA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229995 1041343131 /nfs/dbraw/zinc/34/31/31/1041343131.db2.gz PVZDPYQEOPLYHF-OCCSQVGLSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@H]([NH2+]CC1(OC)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234270 1041346018 /nfs/dbraw/zinc/34/60/18/1041346018.db2.gz BEWJEVHQWZQMBE-ZDUSSCGKSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208505 1041346477 /nfs/dbraw/zinc/34/64/77/1041346477.db2.gz VXNCUIJGALFMME-OAHLLOKOSA-N 0 1 324.346 4.089 20 10 DICDMN CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239058 1041353977 /nfs/dbraw/zinc/35/39/77/1041353977.db2.gz RCRYCBXDVUMROT-TZMCWYRMSA-N 0 1 315.335 4.144 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2cc(C(C)C)no2)cc1 ZINC000169221481 1041361459 /nfs/dbraw/zinc/36/14/59/1041361459.db2.gz KZPQVPYOQPOHAU-AWEZNQCLSA-N 0 1 301.434 4.105 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(C)c2C)c1[O-] ZINC000183738896 1041586705 /nfs/dbraw/zinc/58/67/05/1041586705.db2.gz GOOJPKNJFNOUNW-CYBMUJFWSA-N 0 1 315.388 4.202 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000756455411 1041592890 /nfs/dbraw/zinc/59/28/90/1041592890.db2.gz JXBCRBIYLLQFDF-LBPRGKRZSA-N 0 1 312.800 4.445 20 10 DICDMN C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185119892 1041607336 /nfs/dbraw/zinc/60/73/36/1041607336.db2.gz KZSUPTOAARDZII-GJZGRUSLSA-N 0 1 321.420 4.450 20 10 DICDMN C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185454158 1041614110 /nfs/dbraw/zinc/61/41/10/1041614110.db2.gz OFVWZVBMHARBBF-QVKFZJNVSA-N 0 1 321.420 4.104 20 10 DICDMN CC[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@H](C)OC ZINC000812303159 1041615186 /nfs/dbraw/zinc/61/51/86/1041615186.db2.gz MJJYWYLVEXYJJF-ZDUSSCGKSA-N 0 1 313.397 4.148 20 10 DICDMN CC[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C[C@H](C)OC ZINC000812303159 1041615191 /nfs/dbraw/zinc/61/51/91/1041615191.db2.gz MJJYWYLVEXYJJF-ZDUSSCGKSA-N 0 1 313.397 4.148 20 10 DICDMN C[C@@H](NCc1csc(-c2ccco2)n1)c1cc(F)ccc1O ZINC000185804338 1041622030 /nfs/dbraw/zinc/62/20/30/1041622030.db2.gz IUTWQKOFSHCWRW-SNVBAGLBSA-N 0 1 318.373 4.099 20 10 DICDMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1cc(F)cc(F)c1O ZINC000812739388 1041643871 /nfs/dbraw/zinc/64/38/71/1041643871.db2.gz PUEFIIQCGRZZEY-SNVBAGLBSA-N 0 1 304.340 4.117 20 10 DICDMN C/C(=C\C(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685163 1041726822 /nfs/dbraw/zinc/72/68/22/1041726822.db2.gz CJRNJQDDZKTCOP-VQHVLOKHSA-N 0 1 316.228 4.308 20 10 DICDMN CCCc1nc(C)c(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000813885654 1041742208 /nfs/dbraw/zinc/74/22/08/1041742208.db2.gz PWTFIBOXCSRJRV-GWCFXTLKSA-N 0 1 318.392 4.118 20 10 DICDMN CCCc1nc(C)c(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000813885655 1041742507 /nfs/dbraw/zinc/74/25/07/1041742507.db2.gz PWTFIBOXCSRJRV-GXFFZTMASA-N 0 1 318.392 4.118 20 10 DICDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000814179602 1041780265 /nfs/dbraw/zinc/78/02/65/1041780265.db2.gz VZRKLZSNTVGDIQ-SNVBAGLBSA-N 0 1 320.285 4.274 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(OC)c1O ZINC000162748199 1041791904 /nfs/dbraw/zinc/79/19/04/1041791904.db2.gz JETXVZAMMHNGHS-UHFFFAOYSA-N 0 1 311.834 4.138 20 10 DICDMN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000756609738 1041792779 /nfs/dbraw/zinc/79/27/79/1041792779.db2.gz NGIFLBQEDUPTQT-NWDGAFQWSA-N 0 1 323.795 4.303 20 10 DICDMN Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814224313 1041794682 /nfs/dbraw/zinc/79/46/82/1041794682.db2.gz FMIDAIVHOLLGPB-GOSISDBHSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814224313 1041794688 /nfs/dbraw/zinc/79/46/88/1041794688.db2.gz FMIDAIVHOLLGPB-GOSISDBHSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814224313 1041794695 /nfs/dbraw/zinc/79/46/95/1041794695.db2.gz FMIDAIVHOLLGPB-GOSISDBHSA-N 0 1 318.420 4.320 20 10 DICDMN CN1CCCc2cc(CNCc3ccsc3Cl)ccc21 ZINC000312760503 1041800905 /nfs/dbraw/zinc/80/09/05/1041800905.db2.gz HICMQEYXTYHWGG-UHFFFAOYSA-N 0 1 306.862 4.074 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(Cl)ccc1[O-] ZINC000195147018 1041803003 /nfs/dbraw/zinc/80/30/03/1041803003.db2.gz VHQQRMUCZCXCTQ-GFCCVEGCSA-N 0 1 312.800 4.445 20 10 DICDMN C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1[O-] ZINC000194619434 1041828656 /nfs/dbraw/zinc/82/86/56/1041828656.db2.gz RKEOHMGUBROPMH-ZDUSSCGKSA-N 0 1 322.364 4.304 20 10 DICDMN CCc1noc(C)c1C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000815641457 1041981598 /nfs/dbraw/zinc/98/15/98/1041981598.db2.gz YIAHIPDDDAVTPS-CQSZACIVSA-N 0 1 308.809 4.145 20 10 DICDMN CCc1noc(C)c1C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000815641456 1041982060 /nfs/dbraw/zinc/98/20/60/1041982060.db2.gz YIAHIPDDDAVTPS-AWEZNQCLSA-N 0 1 308.809 4.145 20 10 DICDMN C[C@@H](NCc1c(F)cc(F)cc1F)c1cc(Cl)ccc1O ZINC000815649610 1041984052 /nfs/dbraw/zinc/98/40/52/1041984052.db2.gz UXRJOEYFWNCOKK-MRVPVSSYSA-N 0 1 315.722 4.314 20 10 DICDMN Cc1ccc([C@H](C)NCc2c(F)cc(F)cc2F)c(O)c1C ZINC000815650121 1041985255 /nfs/dbraw/zinc/98/52/55/1041985255.db2.gz JAZOULSDJNSFSU-NSHDSACASA-N 0 1 309.331 4.277 20 10 DICDMN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccc(F)cc2)c1O ZINC000748051444 1042030776 /nfs/dbraw/zinc/03/07/76/1042030776.db2.gz XJYIMJBHGFNTJV-NSHDSACASA-N 0 1 319.351 4.066 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)C(C)C)c1[O-] ZINC000748050425 1042032915 /nfs/dbraw/zinc/03/29/15/1042032915.db2.gz ASTNBBMTVVSBML-SFHVURJKSA-N 0 1 315.388 4.221 20 10 DICDMN [O-]c1c(C[NH+]2CCC(c3ccccn3)CC2)ccc2ccccc21 ZINC000816496343 1042057692 /nfs/dbraw/zinc/05/76/92/1042057692.db2.gz GELVTSKXIHTIPU-UHFFFAOYSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1c(C[NH2+]CCCOC2CCCCC2)ccc2ccccc21 ZINC000816530644 1042062121 /nfs/dbraw/zinc/06/21/21/1042062121.db2.gz PKNOMCQHZONYOO-UHFFFAOYSA-N 0 1 313.441 4.374 20 10 DICDMN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816508305 1042062313 /nfs/dbraw/zinc/06/23/13/1042062313.db2.gz IPYGCKNLKBONPX-HNNXBMFYSA-N 0 1 321.420 4.314 20 10 DICDMN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816508305 1042062320 /nfs/dbraw/zinc/06/23/20/1042062320.db2.gz IPYGCKNLKBONPX-HNNXBMFYSA-N 0 1 321.420 4.314 20 10 DICDMN [O-]c1c(C[NH2+]CC2Cc3ccccc3C2)ccc2ccccc21 ZINC000816550658 1042065159 /nfs/dbraw/zinc/06/51/59/1042065159.db2.gz XSSVNWNCWIYDQI-UHFFFAOYSA-N 0 1 303.405 4.050 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2CCOc3c(F)cccc32)ccc2ccccc21 ZINC000816586129 1042066400 /nfs/dbraw/zinc/06/64/00/1042066400.db2.gz ASSNCPZLHUMMLV-GOSISDBHSA-N 0 1 323.367 4.298 20 10 DICDMN CCO[C@@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816555799 1042067367 /nfs/dbraw/zinc/06/73/67/1042067367.db2.gz QDSLAEYFYOQSBU-SFHVURJKSA-N 0 1 301.430 4.086 20 10 DICDMN CCO[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816593429 1042067927 /nfs/dbraw/zinc/06/79/27/1042067927.db2.gz RRGKMDVLACKHET-FQEVSTJZSA-N 0 1 321.420 4.413 20 10 DICDMN CCSc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])ccn1 ZINC000816574815 1042070196 /nfs/dbraw/zinc/07/01/96/1042070196.db2.gz SQWXITYCNBJGDC-UHFFFAOYSA-N 0 1 324.449 4.342 20 10 DICDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816594977 1042070484 /nfs/dbraw/zinc/07/04/84/1042070484.db2.gz VBIBDROTVYFHEQ-XHDPSFHLSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594977 1042070490 /nfs/dbraw/zinc/07/04/90/1042070490.db2.gz VBIBDROTVYFHEQ-XHDPSFHLSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594977 1042070497 /nfs/dbraw/zinc/07/04/97/1042070497.db2.gz VBIBDROTVYFHEQ-XHDPSFHLSA-N 0 1 309.331 4.318 20 10 DICDMN COCC[C@H]1CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816571169 1042070569 /nfs/dbraw/zinc/07/05/69/1042070569.db2.gz UWDTZSCBIJNCQH-MRXNPFEDSA-N 0 1 313.441 4.184 20 10 DICDMN COCC[C@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816571169 1042070575 /nfs/dbraw/zinc/07/05/75/1042070575.db2.gz UWDTZSCBIJNCQH-MRXNPFEDSA-N 0 1 313.441 4.184 20 10 DICDMN COCC[C@@H]1CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816571168 1042070894 /nfs/dbraw/zinc/07/08/94/1042070894.db2.gz UWDTZSCBIJNCQH-INIZCTEOSA-N 0 1 313.441 4.184 20 10 DICDMN COCC[C@@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816571168 1042070897 /nfs/dbraw/zinc/07/08/97/1042070897.db2.gz UWDTZSCBIJNCQH-INIZCTEOSA-N 0 1 313.441 4.184 20 10 DICDMN [O-]c1c(C[NH2+]CC2(c3ccccn3)CCC2)ccc2ccccc21 ZINC000816608514 1042071191 /nfs/dbraw/zinc/07/11/91/1042071191.db2.gz BHADPXGAZNSZOW-UHFFFAOYSA-N 0 1 318.420 4.152 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000816607823 1042071471 /nfs/dbraw/zinc/07/14/71/1042071471.db2.gz HBAOYFCLUPKWSV-UHFFFAOYSA-N 0 1 307.752 4.067 20 10 DICDMN C[C@@H]1CC(CC[NH2+]Cc2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000816601019 1042071726 /nfs/dbraw/zinc/07/17/26/1042071726.db2.gz ORAIEUIJSPVSSG-HUUCEWRRSA-N 0 1 313.441 4.229 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000816610576 1042073412 /nfs/dbraw/zinc/07/34/12/1042073412.db2.gz PPBTYUQFAHTICK-LJQANCHMSA-N 0 1 304.393 4.278 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000816610576 1042073421 /nfs/dbraw/zinc/07/34/21/1042073421.db2.gz PPBTYUQFAHTICK-LJQANCHMSA-N 0 1 304.393 4.278 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1ccncc1 ZINC000816622081 1042074631 /nfs/dbraw/zinc/07/46/31/1042074631.db2.gz WRFVYQQCEQEKPU-MRXNPFEDSA-N 0 1 320.795 4.163 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)cc(F)c2O)[C@H]1c1ccncc1 ZINC000816622080 1042074914 /nfs/dbraw/zinc/07/49/14/1042074914.db2.gz WRFVYQQCEQEKPU-INIZCTEOSA-N 0 1 320.795 4.163 20 10 DICDMN CCc1nc(CN[C@@H](C)c2ccc3ccccc3c2O)cs1 ZINC000185397152 1042098229 /nfs/dbraw/zinc/09/82/29/1042098229.db2.gz VOXHGDQAIFXAPO-LBPRGKRZSA-N 0 1 312.438 4.415 20 10 DICDMN Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc(C)n1 ZINC000817590475 1042119445 /nfs/dbraw/zinc/11/94/45/1042119445.db2.gz XSUIKOYSQFVBGA-OAHLLOKOSA-N 0 1 306.409 4.408 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(Cl)ccc1[O-] ZINC000817588069 1042119486 /nfs/dbraw/zinc/11/94/86/1042119486.db2.gz BRXNSOBWQCQDFQ-NEPJUHHUSA-N 0 1 311.878 4.230 20 10 DICDMN Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc(C)n1 ZINC000817590474 1042120035 /nfs/dbraw/zinc/12/00/35/1042120035.db2.gz XSUIKOYSQFVBGA-HNNXBMFYSA-N 0 1 306.409 4.408 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc(Cl)ccc1[O-] ZINC000817978278 1042135671 /nfs/dbraw/zinc/13/56/71/1042135671.db2.gz ZYPOPGMHZVYZNX-GFCCVEGCSA-N 0 1 316.832 4.255 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cc(Cl)ccc1[O-] ZINC000817978279 1042136267 /nfs/dbraw/zinc/13/62/67/1042136267.db2.gz ZYPOPGMHZVYZNX-LBPRGKRZSA-N 0 1 316.832 4.255 20 10 DICDMN CCc1nn(C)cc1N[C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000756875308 1042148183 /nfs/dbraw/zinc/14/81/83/1042148183.db2.gz WEEXLPCIFNWUFI-MRVPVSSYSA-N 0 1 314.216 4.168 20 10 DICDMN COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])o1 ZINC000137064611 1042484033 /nfs/dbraw/zinc/48/40/33/1042484033.db2.gz BVPUFSQRNHUMEN-OAHLLOKOSA-N 0 1 321.804 4.122 20 10 DICDMN COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])o1 ZINC000137064611 1042484034 /nfs/dbraw/zinc/48/40/34/1042484034.db2.gz BVPUFSQRNHUMEN-OAHLLOKOSA-N 0 1 321.804 4.122 20 10 DICDMN Cc1ncoc1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC000894208131 1042513288 /nfs/dbraw/zinc/51/32/88/1042513288.db2.gz DJBOZMZXXSODEK-UHFFFAOYSA-N 0 1 313.445 4.042 20 10 DICDMN Cc1csc(C2(N[C@@H](C)c3ccc(N(C)C)cc3)CCC2)n1 ZINC000271963168 1042673781 /nfs/dbraw/zinc/67/37/81/1042673781.db2.gz LNXSANYOSCYJLF-AWEZNQCLSA-N 0 1 315.486 4.248 20 10 DICDMN CN(C)c1ccc(CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000237129010 1042686601 /nfs/dbraw/zinc/68/66/01/1042686601.db2.gz ZDKDDFDFMCWVML-UHFFFAOYSA-N 0 1 306.409 4.302 20 10 DICDMN Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729468317 1042974789 /nfs/dbraw/zinc/97/47/89/1042974789.db2.gz CDJKRIQREKXAKV-MRXNPFEDSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729468317 1042974794 /nfs/dbraw/zinc/97/47/94/1042974794.db2.gz CDJKRIQREKXAKV-MRXNPFEDSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729468317 1042974799 /nfs/dbraw/zinc/97/47/99/1042974799.db2.gz CDJKRIQREKXAKV-MRXNPFEDSA-N 0 1 322.383 4.069 20 10 DICDMN CCN(CC)c1ccc(CN[C@H](C)c2cccnc2Cl)cc1 ZINC000178228448 1043123963 /nfs/dbraw/zinc/12/39/63/1043123963.db2.gz OQXLHXQGNSJQHB-CQSZACIVSA-N 0 1 317.864 4.432 20 10 DICDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183713981 1043170252 /nfs/dbraw/zinc/17/02/52/1043170252.db2.gz JPPOOLHSUYECDX-SNVBAGLBSA-N 0 1 311.212 4.287 20 10 DICDMN CCC(CC)c1cc(CN[C@@H](C)c2ccc(C)cc2O)on1 ZINC000185562028 1043204108 /nfs/dbraw/zinc/20/41/08/1043204108.db2.gz PVBVUKOVFJDEFF-ZDUSSCGKSA-N 0 1 302.418 4.443 20 10 DICDMN C[C@@H](NCc1nc(C2CC2)cs1)c1cc(Cl)ccc1O ZINC000186117284 1043215406 /nfs/dbraw/zinc/21/54/06/1043215406.db2.gz RTGYXONBPQBCBK-SECBINFHSA-N 0 1 308.834 4.230 20 10 DICDMN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000186766114 1043233023 /nfs/dbraw/zinc/23/30/23/1043233023.db2.gz AKLPEFKDBTZGSE-GXSJLCMTSA-N 0 1 310.850 4.265 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000122424968 1043303965 /nfs/dbraw/zinc/30/39/65/1043303965.db2.gz SSIWXQKHGAIZNS-KGLIPLIRSA-N 0 1 316.420 4.312 20 10 DICDMN CC[C@@H](NCc1ncc(Cl)s1)c1cc(Cl)ccc1O ZINC000872116990 1043465275 /nfs/dbraw/zinc/46/52/75/1043465275.db2.gz WJYALRXHKGZZJA-SNVBAGLBSA-N 0 1 317.241 4.396 20 10 DICDMN CCn1ncc(N[C@@H](C)c2ccc(Cl)c(Cl)c2O)c1C ZINC000872136080 1043477868 /nfs/dbraw/zinc/47/78/68/1043477868.db2.gz CBSGQIBXOIXZRY-QMMMGPOBSA-N 0 1 314.216 4.397 20 10 DICDMN Cc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)on1 ZINC000125604254 1043642124 /nfs/dbraw/zinc/64/21/24/1043642124.db2.gz ZKYJOXMNHDAUMK-MRXNPFEDSA-N 0 1 313.445 4.214 20 10 DICDMN Cc1cc(CN[C@@H](C)c2ccccn2)c(C)n1-c1ccccc1 ZINC000320344376 1044025142 /nfs/dbraw/zinc/02/51/42/1044025142.db2.gz OUWVCMCVZSPLML-INIZCTEOSA-N 0 1 305.425 4.340 20 10 DICDMN CC[C@@H](NCc1c(F)cc(F)c(F)c1F)c1ccccc1O ZINC000281233960 1044108325 /nfs/dbraw/zinc/10/83/25/1044108325.db2.gz VYAXHRRDYHKMLC-CYBMUJFWSA-N 0 1 313.294 4.190 20 10 DICDMN CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000778119712 1044158817 /nfs/dbraw/zinc/15/88/17/1044158817.db2.gz XWBGVTRLWVCJIU-GUYCJALGSA-N 0 1 311.853 4.119 20 10 DICDMN [O-]c1c(C[NH2+][C@H]2CCCc3cccnc32)ccc2ccccc21 ZINC000897072639 1044290560 /nfs/dbraw/zinc/29/05/60/1044290560.db2.gz XJJFNYNZNVVTKW-SFHVURJKSA-N 0 1 304.393 4.108 20 10 DICDMN COc1cccc([C@H](C)N[C@H]2c3ccccc3CC[C@@H]2F)c1O ZINC000883377848 1044292671 /nfs/dbraw/zinc/29/26/71/1044292671.db2.gz SADVDVGJNYXPOD-IWEFOYFVSA-N 0 1 315.388 4.077 20 10 DICDMN Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000361066274 1044355328 /nfs/dbraw/zinc/35/53/28/1044355328.db2.gz KBOTXANPAWNBHB-MRXNPFEDSA-N 0 1 308.381 4.261 20 10 DICDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1c1ccncc1 ZINC000294049145 1044370909 /nfs/dbraw/zinc/37/09/09/1044370909.db2.gz WYDQIFKHLFXLJR-INIZCTEOSA-N 0 1 302.805 4.024 20 10 DICDMN Oc1cccc2c1[C@H](NCc1c(Cl)cccc1Cl)CC2 ZINC000696908418 1044410866 /nfs/dbraw/zinc/41/08/66/1044410866.db2.gz YSMSBGVZKPAJGR-CQSZACIVSA-N 0 1 308.208 4.476 20 10 DICDMN Cc1cc(C)c([C@@H](C)NCc2nc(C(C)C)cs2)c(O)c1 ZINC000294870492 1044467575 /nfs/dbraw/zinc/46/75/75/1044467575.db2.gz UGWRXNQDAUTEIQ-CYBMUJFWSA-N 0 1 304.459 4.440 20 10 DICDMN C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(F)c(F)c1O ZINC000295012927 1044480791 /nfs/dbraw/zinc/48/07/91/1044480791.db2.gz MYDFUAWGPVAKEV-WCQYABFASA-N 0 1 319.351 4.347 20 10 DICDMN C[C@H](Nc1ccccc1OCCF)c1ccc(F)c(F)c1O ZINC000296245595 1044601703 /nfs/dbraw/zinc/60/17/03/1044601703.db2.gz AYYSTGZNNAZCAE-JTQLQIEISA-N 0 1 311.303 4.192 20 10 DICDMN Cc1ccc([C@H](NCc2cccc(C)c2O)c2ccccn2)cc1 ZINC000366269487 1044716968 /nfs/dbraw/zinc/71/69/68/1044716968.db2.gz MODKFVOCXWJCIG-FQEVSTJZSA-N 0 1 318.420 4.283 20 10 DICDMN CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000300419613 1044822996 /nfs/dbraw/zinc/82/29/96/1044822996.db2.gz YJQCKZGCMRYBBN-BPLDGKMQSA-N 0 1 301.455 4.480 20 10 DICDMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000152401708 1045042409 /nfs/dbraw/zinc/04/24/09/1045042409.db2.gz OWOHQNNOIFVZAW-IAGOWNOFSA-N 0 1 309.457 4.484 20 10 DICDMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000152401431 1045042586 /nfs/dbraw/zinc/04/25/86/1045042586.db2.gz OWOHQNNOIFVZAW-IRXDYDNUSA-N 0 1 309.457 4.484 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1nnc(C2CC2)s1 ZINC000777507808 1045158639 /nfs/dbraw/zinc/15/86/39/1045158639.db2.gz TYVQDKKOHNAHIV-UHFFFAOYSA-N 0 1 316.213 4.040 20 10 DICDMN COc1ccc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1F ZINC000527782491 1045259698 /nfs/dbraw/zinc/25/96/98/1045259698.db2.gz XAIHDCSYIIBEQD-UHFFFAOYSA-N 0 1 323.795 4.218 20 10 DICDMN CC[C@H]([NH2+]Cc1cccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000527988487 1045294695 /nfs/dbraw/zinc/29/46/95/1045294695.db2.gz SVFWCCBFPZPWPH-HNNXBMFYSA-N 0 1 324.346 4.355 20 10 DICDMN CC[C@H](N[C@@H](C)c1ncccc1F)c1cc(Cl)ccc1O ZINC000528035652 1045296053 /nfs/dbraw/zinc/29/60/53/1045296053.db2.gz JGKVJQWSXOSSKN-HZMBPMFUSA-N 0 1 308.784 4.382 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000528035652 1045296056 /nfs/dbraw/zinc/29/60/56/1045296056.db2.gz JGKVJQWSXOSSKN-HZMBPMFUSA-N 0 1 308.784 4.382 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c1[O-] ZINC000779197444 1045368496 /nfs/dbraw/zinc/36/84/96/1045368496.db2.gz APJNUCWIONQAKS-STQMWFEESA-N 0 1 315.388 4.016 20 10 DICDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000077454628 1045521513 /nfs/dbraw/zinc/52/15/13/1045521513.db2.gz VJXZKWHGWAQJCV-GOSISDBHSA-N 0 1 304.384 4.272 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1OC1CCC1 ZINC000118454671 1045575385 /nfs/dbraw/zinc/57/53/85/1045575385.db2.gz XIQNBQFBAWPXOB-UHFFFAOYSA-N 0 1 317.816 4.267 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000800498480 1045635828 /nfs/dbraw/zinc/63/58/28/1045635828.db2.gz LCOLAJUTHTUITC-DOTOQJQBSA-N 0 1 323.864 4.436 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000800857195 1045658956 /nfs/dbraw/zinc/65/89/56/1045658956.db2.gz IRNWQNSUNFWHQY-FQEVSTJZSA-N 0 1 322.383 4.011 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000800857195 1045658966 /nfs/dbraw/zinc/65/89/66/1045658966.db2.gz IRNWQNSUNFWHQY-FQEVSTJZSA-N 0 1 322.383 4.011 20 10 DICDMN CCCCN(Cc1ccccc1O)Cc1ccncc1Cl ZINC000801596837 1045751535 /nfs/dbraw/zinc/75/15/35/1045751535.db2.gz QLCUVXKSVKOOFT-UHFFFAOYSA-N 0 1 304.821 4.243 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C)s2)c1[O-] ZINC000754677836 1045910608 /nfs/dbraw/zinc/91/06/08/1045910608.db2.gz XEDYXFBVJKKVNP-SNVBAGLBSA-N 0 1 323.845 4.469 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001137839215 1045979683 /nfs/dbraw/zinc/97/96/83/1045979683.db2.gz XCZFVHAJWRESGL-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001137839985 1045980457 /nfs/dbraw/zinc/98/04/57/1045980457.db2.gz OONFLYXQDLTOQQ-AWEZNQCLSA-N 0 1 321.392 4.037 20 10 DICDMN C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000756419466 1046078051 /nfs/dbraw/zinc/07/80/51/1046078051.db2.gz UQPHAYIFUHABKS-HZPDHXFCSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000756474410 1046086270 /nfs/dbraw/zinc/08/62/70/1046086270.db2.gz IGGZZWMLVIQLRW-RYUDHWBXSA-N 0 1 310.235 4.162 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2ccccc2c1[O-] ZINC000756514939 1046094925 /nfs/dbraw/zinc/09/49/25/1046094925.db2.gz KOQNTVOBOIAKKA-AWEZNQCLSA-N 0 1 319.404 4.331 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000756534873 1046095810 /nfs/dbraw/zinc/09/58/10/1046095810.db2.gz LIEFZHHEBTZQCH-AUUYWEPGSA-N 0 1 313.441 4.137 20 10 DICDMN Cc1csc([C@H](C)N[C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756533227 1046097246 /nfs/dbraw/zinc/09/72/46/1046097246.db2.gz DDKCHCKCZDIDGV-PEXQALLHSA-N 0 1 306.406 4.195 20 10 DICDMN CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756563027 1046101059 /nfs/dbraw/zinc/10/10/59/1046101059.db2.gz LAZKFDODJIVUHV-NVXWUHKLSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000756639035 1046113814 /nfs/dbraw/zinc/11/38/14/1046113814.db2.gz VQJRQYMZGRTSCN-QMIHWGKISA-N 0 1 313.441 4.137 20 10 DICDMN Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756635034 1046114703 /nfs/dbraw/zinc/11/47/03/1046114703.db2.gz DFMBPPDIDCEPPF-YWZLYKJASA-N 0 1 321.420 4.238 20 10 DICDMN CC(C)c1csc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756657738 1046118626 /nfs/dbraw/zinc/11/86/26/1046118626.db2.gz FWFXAZUOEXWLFO-JQWIXIFHSA-N 0 1 320.433 4.449 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756706107 1046121721 /nfs/dbraw/zinc/12/17/21/1046121721.db2.gz GWOBWLRESDWVNI-SGTLLEGYSA-N 0 1 317.816 4.010 20 10 DICDMN COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756706911 1046122061 /nfs/dbraw/zinc/12/20/61/1046122061.db2.gz ITUWPQGAMXZFLY-STQMWFEESA-N 0 1 319.832 4.336 20 10 DICDMN C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000756755596 1046126394 /nfs/dbraw/zinc/12/63/94/1046126394.db2.gz BGODSHPGSZNUOP-BLLLJJGKSA-N 0 1 311.853 4.292 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c(C)c1 ZINC000756761115 1046127307 /nfs/dbraw/zinc/12/73/07/1046127307.db2.gz RGWMXYVZCQBUNH-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CO2 ZINC000756758461 1046127447 /nfs/dbraw/zinc/12/74/47/1046127447.db2.gz FSYKVWXUGYHKGR-ABAIWWIYSA-N 0 1 303.789 4.138 20 10 DICDMN C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cc(Cl)ccc1[O-] ZINC000756757746 1046128108 /nfs/dbraw/zinc/12/81/08/1046128108.db2.gz BJCXBNQDCDMTEO-YMTOWFKASA-N 0 1 324.207 4.483 20 10 DICDMN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000756761747 1046128184 /nfs/dbraw/zinc/12/81/84/1046128184.db2.gz UZWHRCLTCXAMHS-XEZPLFJOSA-N 0 1 311.853 4.028 20 10 DICDMN COc1cccc(C(C)(C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000756770383 1046130306 /nfs/dbraw/zinc/13/03/06/1046130306.db2.gz UXYREYHKLSFBOO-CYBMUJFWSA-N 0 1 317.404 4.168 20 10 DICDMN COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756785024 1046133620 /nfs/dbraw/zinc/13/36/20/1046133620.db2.gz RRBBQKOINSTQRS-KBPBESRZSA-N 0 1 317.404 4.069 20 10 DICDMN COc1cccc(C2([NH2+][C@H](C)c3cc(Cl)ccc3[O-])CC2)c1 ZINC000756845022 1046142161 /nfs/dbraw/zinc/14/21/61/1046142161.db2.gz QJPMAFGUDIFTLI-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)NCc2nc3c(s2)CCC3)c1O ZINC000903190604 1046186971 /nfs/dbraw/zinc/18/69/71/1046186971.db2.gz BUIHXKIGWSEDKC-JTQLQIEISA-N 0 1 322.861 4.150 20 10 DICDMN CCCc1ccc(CN2CCCc3cc(O)c(O)cc3C2)s1 ZINC001138528496 1046212497 /nfs/dbraw/zinc/21/24/97/1046212497.db2.gz VIZOHFJLGBQWOV-UHFFFAOYSA-N 0 1 317.454 4.060 20 10 DICDMN Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000903303963 1046230466 /nfs/dbraw/zinc/23/04/66/1046230466.db2.gz XEBPYDXDMUVUAI-ZDUSSCGKSA-N 0 1 319.832 4.006 20 10 DICDMN CC[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cc(Cl)ccc1O ZINC000903325507 1046240250 /nfs/dbraw/zinc/24/02/50/1046240250.db2.gz IECOXSZCNZXUGR-GDBMZVCRSA-N 0 1 317.820 4.028 20 10 DICDMN COC(C)(C)C[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000758405702 1046266162 /nfs/dbraw/zinc/26/61/62/1046266162.db2.gz SRGGNCIZCSJYEK-UHFFFAOYSA-N 0 1 313.397 4.148 20 10 DICDMN COC(C)(C)C[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000758405702 1046266178 /nfs/dbraw/zinc/26/61/78/1046266178.db2.gz SRGGNCIZCSJYEK-UHFFFAOYSA-N 0 1 313.397 4.148 20 10 DICDMN C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903427836 1046278018 /nfs/dbraw/zinc/27/80/18/1046278018.db2.gz AAZAKQQPDVKYEV-APPDUMDISA-N 0 1 302.805 4.243 20 10 DICDMN C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091956822 1046489335 /nfs/dbraw/zinc/48/93/35/1046489335.db2.gz WXKRNKYDZPGSPK-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN Cc1csc(CN(C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001137292941 1046490892 /nfs/dbraw/zinc/49/08/92/1046490892.db2.gz WPJVDAHYMRNFER-UHFFFAOYSA-N 0 1 308.878 4.408 20 10 DICDMN CC[N@@H+](Cc1cccc(Cl)c1)Cc1c([O-])c(F)ccc1F ZINC001139687219 1046498433 /nfs/dbraw/zinc/49/84/33/1046498433.db2.gz JAHKMLDSHYSWRX-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683843 1046498778 /nfs/dbraw/zinc/49/87/78/1046498778.db2.gz NFCCOKBPPCRPMS-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686037 1046500169 /nfs/dbraw/zinc/50/01/69/1046500169.db2.gz KVGRCLNUCXICRB-KRWDZBQOSA-N 0 1 303.352 4.180 20 10 DICDMN Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)Cc1ccccc1O ZINC001139886638 1046545697 /nfs/dbraw/zinc/54/56/97/1046545697.db2.gz HKUDFOXZBYXPKH-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@H]1c1cc(F)ccc1F ZINC001140055279 1046577867 /nfs/dbraw/zinc/57/78/67/1046577867.db2.gz PYIGTFZKXJXIOZ-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001140060017 1046579331 /nfs/dbraw/zinc/57/93/31/1046579331.db2.gz GSOVJWYFOACTIB-INIZCTEOSA-N 0 1 321.392 4.037 20 10 DICDMN CCOc1ccc(O)c(CN[C@H](c2ccco2)c2ccccc2)c1 ZINC000237088357 1046594082 /nfs/dbraw/zinc/59/40/82/1046594082.db2.gz WIQVAUQRUMSTOQ-FQEVSTJZSA-N 0 1 323.392 4.263 20 10 DICDMN CC[N@@H+](Cc1ccc(-c2ccncc2)cc1)Cc1ccccc1O ZINC001140171171 1046606155 /nfs/dbraw/zinc/60/61/55/1046606155.db2.gz GTSNSIHZVYSXMP-UHFFFAOYSA-N 0 1 318.420 4.476 20 10 DICDMN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746841 1046607910 /nfs/dbraw/zinc/60/79/10/1046607910.db2.gz LOPVZAYMXYFYDX-NWDGAFQWSA-N 0 1 305.805 4.466 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC001140338239 1046666159 /nfs/dbraw/zinc/66/61/59/1046666159.db2.gz BYJZMSHUWSXKAY-UHFFFAOYSA-N 0 1 301.817 4.425 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001140344019 1046667785 /nfs/dbraw/zinc/66/77/85/1046667785.db2.gz DMPYYKFJKAWFIT-HNNXBMFYSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001140344019 1046667787 /nfs/dbraw/zinc/66/77/87/1046667787.db2.gz DMPYYKFJKAWFIT-HNNXBMFYSA-N 0 1 317.816 4.089 20 10 DICDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000834815300 1046673973 /nfs/dbraw/zinc/67/39/73/1046673973.db2.gz UOGZCACXKDEXDQ-QWRGUYRKSA-N 0 1 320.776 4.366 20 10 DICDMN C[C@@H]([NH2+]CCCC(C)(F)F)c1cc(Br)ccc1[O-] ZINC000834818971 1046675927 /nfs/dbraw/zinc/67/59/27/1046675927.db2.gz QSQHHQCPZWOHAW-SECBINFHSA-N 0 1 322.193 4.241 20 10 DICDMN C[C@@H]1C[C@@H](NCc2cc(F)cnc2Cl)c2c1c(F)ccc2O ZINC000834836280 1046680747 /nfs/dbraw/zinc/68/07/47/1046680747.db2.gz LWIOJPWAZOIYSM-PRHODGIISA-N 0 1 324.758 4.057 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000834883523 1046696622 /nfs/dbraw/zinc/69/66/22/1046696622.db2.gz QPCOOWZFKVHBPD-UMVBOHGHSA-N 0 1 319.420 4.019 20 10 DICDMN C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000834884561 1046696872 /nfs/dbraw/zinc/69/68/72/1046696872.db2.gz NNWRIUGOAMKMQE-PELKAZGASA-N 0 1 308.636 4.280 20 10 DICDMN Cc1cccnc1CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834882493 1046697266 /nfs/dbraw/zinc/69/72/66/1046697266.db2.gz BFSJXGLJCWYDFY-ZDUSSCGKSA-N 0 1 304.821 4.032 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000834883382 1046697344 /nfs/dbraw/zinc/69/73/44/1046697344.db2.gz QPCOOWZFKVHBPD-IPYPFGDCSA-N 0 1 319.420 4.019 20 10 DICDMN CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000834905150 1046715505 /nfs/dbraw/zinc/71/55/05/1046715505.db2.gz RHDCEYLQXIWBRD-ZIAGYGMSSA-N 0 1 309.413 4.174 20 10 DICDMN CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000834905143 1046716030 /nfs/dbraw/zinc/71/60/30/1046716030.db2.gz RHDCEYLQXIWBRD-KBPBESRZSA-N 0 1 309.413 4.174 20 10 DICDMN CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000834905148 1046716784 /nfs/dbraw/zinc/71/67/84/1046716784.db2.gz RHDCEYLQXIWBRD-UONOGXRCSA-N 0 1 309.413 4.174 20 10 DICDMN CC[C@H]([NH2+]CCc1ccc(C)cn1)c1cc(Cl)ccc1[O-] ZINC000834908163 1046718761 /nfs/dbraw/zinc/71/87/61/1046718761.db2.gz CGUPUEFSQJAPIF-INIZCTEOSA-N 0 1 304.821 4.032 20 10 DICDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140464598 1046734954 /nfs/dbraw/zinc/73/49/54/1046734954.db2.gz WOUNBYPGWSXHSH-CYBMUJFWSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140464598 1046734964 /nfs/dbraw/zinc/73/49/64/1046734964.db2.gz WOUNBYPGWSXHSH-CYBMUJFWSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140464598 1046734977 /nfs/dbraw/zinc/73/49/77/1046734977.db2.gz WOUNBYPGWSXHSH-CYBMUJFWSA-N 0 1 319.832 4.117 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001140462663 1046735941 /nfs/dbraw/zinc/73/59/41/1046735941.db2.gz KUGWKYCBPCLLOZ-UHFFFAOYSA-N 0 1 301.764 4.057 20 10 DICDMN CC[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000835039120 1046745885 /nfs/dbraw/zinc/74/58/85/1046745885.db2.gz WNDUZFOBRLAEMI-LXXRFIIISA-N 0 1 315.486 4.272 20 10 DICDMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000835084537 1046756486 /nfs/dbraw/zinc/75/64/86/1046756486.db2.gz ODKBAFZQIDDKCB-GFCCVEGCSA-N 0 1 310.422 4.121 20 10 DICDMN C[C@@H]1c2ccsc2CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000835084537 1046756500 /nfs/dbraw/zinc/75/65/00/1046756500.db2.gz ODKBAFZQIDDKCB-GFCCVEGCSA-N 0 1 310.422 4.121 20 10 DICDMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000835084537 1046756506 /nfs/dbraw/zinc/75/65/06/1046756506.db2.gz ODKBAFZQIDDKCB-GFCCVEGCSA-N 0 1 310.422 4.121 20 10 DICDMN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000797058476 1046782242 /nfs/dbraw/zinc/78/22/42/1046782242.db2.gz FMEPOAPFWDXSLS-ZJNRKIDTSA-N 0 1 319.832 4.127 20 10 DICDMN Cc1c(O)ccc(CN2CCC[C@@H]2c2c(F)cccc2F)c1O ZINC001140748165 1046883819 /nfs/dbraw/zinc/88/38/19/1046883819.db2.gz SUBUAITYFWKDNV-OAHLLOKOSA-N 0 1 319.351 4.022 20 10 DICDMN Cc1ccc(CN2CCc3c(cccc3C(F)(F)F)C2)c(O)c1 ZINC001140957659 1046962583 /nfs/dbraw/zinc/96/25/83/1046962583.db2.gz HMXXOPZMZFIMHJ-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN CC(=O)c1cccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000827441816 1046991539 /nfs/dbraw/zinc/99/15/39/1046991539.db2.gz DXNVCHQYYAXQSQ-UHFFFAOYSA-N 0 1 322.452 4.120 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798964769 1046994235 /nfs/dbraw/zinc/99/42/35/1046994235.db2.gz MWJWQIYBDYGVLF-LLVKDONJSA-N 0 1 323.223 4.084 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001139684572 1047082800 /nfs/dbraw/zinc/08/28/00/1047082800.db2.gz ZLPNZUURFIBFJN-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc2ccccc2c1[O-] ZINC001116565393 1047157096 /nfs/dbraw/zinc/15/70/96/1047157096.db2.gz QUZYJHVAVZPLLM-KYNGSXCRSA-N 0 1 312.457 4.069 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1ccc(C)nc1Cl ZINC000838859864 1047164643 /nfs/dbraw/zinc/16/46/43/1047164643.db2.gz OQEWDPNTXVFUQZ-UHFFFAOYSA-N 0 1 304.821 4.161 20 10 DICDMN Cc1cc(N(C)C)ccc1CNCc1cccc(Cl)c1F ZINC001118005459 1047257217 /nfs/dbraw/zinc/25/72/17/1047257217.db2.gz IDGDCLHVWKULFF-UHFFFAOYSA-N 0 1 306.812 4.143 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001142509018 1047266101 /nfs/dbraw/zinc/26/61/01/1047266101.db2.gz TZTKKPSUIRSFHF-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN CC[C@H]([NH2+]Cc1occc1C)c1cc(Br)ccc1[O-] ZINC000388728115 1047290446 /nfs/dbraw/zinc/29/04/46/1047290446.db2.gz IFCGRTKLBCIUOT-ZDUSSCGKSA-N 0 1 324.218 4.297 20 10 DICDMN CSc1cccc(F)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000796440717 1047284781 /nfs/dbraw/zinc/28/47/81/1047284781.db2.gz BRIHMMQTDGVRHD-UHFFFAOYSA-N 0 1 311.809 4.196 20 10 DICDMN CSc1cccc(F)c1CNCc1c(O)cccc1Cl ZINC000796440717 1047284789 /nfs/dbraw/zinc/28/47/89/1047284789.db2.gz BRIHMMQTDGVRHD-UHFFFAOYSA-N 0 1 311.809 4.196 20 10 DICDMN CC(C)CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000387723374 1047284996 /nfs/dbraw/zinc/28/49/96/1047284996.db2.gz NIEYXSJGKVBXCQ-OAHLLOKOSA-N 0 1 301.430 4.259 20 10 DICDMN CCc1nocc1CN(C)Cc1cc(C(C)C)c(C)cc1O ZINC000840087849 1047287102 /nfs/dbraw/zinc/28/71/02/1047287102.db2.gz BMPHSDBZPXDRQG-UHFFFAOYSA-N 0 1 302.418 4.006 20 10 DICDMN COc1cc(C)cc(CN2CC3(CCC3)[C@H]2c2ccco2)c1O ZINC000840139243 1047288928 /nfs/dbraw/zinc/28/89/28/1047288928.db2.gz KGIXVZWPVFINKB-GOSISDBHSA-N 0 1 313.397 4.029 20 10 DICDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c2c1c(F)ccc2[O-] ZINC001118428301 1047294435 /nfs/dbraw/zinc/29/44/35/1047294435.db2.gz SCEXHQVPSOTRSK-YFVNTRNASA-N 0 1 311.347 4.103 20 10 DICDMN CCN(CC)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000725845545 1047318889 /nfs/dbraw/zinc/31/88/89/1047318889.db2.gz CYTFUJNQGSFBSK-UHFFFAOYSA-N 0 1 318.848 4.182 20 10 DICDMN Cc1cc(C)c(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000397104089 1047324706 /nfs/dbraw/zinc/32/47/06/1047324706.db2.gz QOMBLBLYZQSVSP-OAHLLOKOSA-N 0 1 306.409 4.408 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000840808938 1047336908 /nfs/dbraw/zinc/33/69/08/1047336908.db2.gz YLFMWZKSEFXOTB-ZUYNKMSQSA-N 0 1 313.363 4.493 20 10 DICDMN C[C@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000840808935 1047337342 /nfs/dbraw/zinc/33/73/42/1047337342.db2.gz YLFMWZKSEFXOTB-YUVKLTJASA-N 0 1 313.363 4.493 20 10 DICDMN CCOc1cccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840876451 1047350000 /nfs/dbraw/zinc/35/00/00/1047350000.db2.gz QLXIRWRCGIQXHF-UHFFFAOYSA-N 0 1 305.805 4.043 20 10 DICDMN CC[C@@H](NCc1c(O)cc(C)cc1Cl)c1nc(C)cs1 ZINC000840892261 1047357496 /nfs/dbraw/zinc/35/74/96/1047357496.db2.gz PBLSTJZPYDNQSX-CYBMUJFWSA-N 0 1 310.850 4.360 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(c3ccccn3)CC2)c(Cl)c1 ZINC000840911749 1047358396 /nfs/dbraw/zinc/35/83/96/1047358396.db2.gz ORYSYICCBVWUGA-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c(Cl)c1 ZINC000840906421 1047358419 /nfs/dbraw/zinc/35/84/19/1047358419.db2.gz HCHMNSQWKCECIE-LRDDRELGSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(OC(C)(C)C)CC2)c(Cl)c1 ZINC000840911704 1047358698 /nfs/dbraw/zinc/35/86/98/1047358698.db2.gz NHPWJPQVXCKWFY-UHFFFAOYSA-N 0 1 311.853 4.134 20 10 DICDMN Cc1cc(O)c(CN[C@H]2CCOc3ccc(F)cc32)c(Cl)c1 ZINC000840938426 1047361695 /nfs/dbraw/zinc/36/16/95/1047361695.db2.gz DKBXNPQXLSNXLR-HNNXBMFYSA-N 0 1 321.779 4.107 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(Cl)c1 ZINC000840938426 1047361700 /nfs/dbraw/zinc/36/17/00/1047361700.db2.gz DKBXNPQXLSNXLR-HNNXBMFYSA-N 0 1 321.779 4.107 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000840950475 1047362502 /nfs/dbraw/zinc/36/25/02/1047362502.db2.gz ODBRDCVIWKTIIP-IBGZPJMESA-N 0 1 309.457 4.039 20 10 DICDMN Cc1cc(O)c(CN[C@H]2CCOc3c(F)cccc32)c(Cl)c1 ZINC000840940168 1047363918 /nfs/dbraw/zinc/36/39/18/1047363918.db2.gz VPFGVWXXYUZZAP-HNNXBMFYSA-N 0 1 321.779 4.107 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOc3c(F)cccc32)c(Cl)c1 ZINC000840940168 1047363932 /nfs/dbraw/zinc/36/39/32/1047363932.db2.gz VPFGVWXXYUZZAP-HNNXBMFYSA-N 0 1 321.779 4.107 20 10 DICDMN CSCc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000796514270 1047366777 /nfs/dbraw/zinc/36/67/77/1047366777.db2.gz IHKDFBHPHAMRBC-UHFFFAOYSA-N 0 1 307.846 4.198 20 10 DICDMN C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743643 1047446950 /nfs/dbraw/zinc/44/69/50/1047446950.db2.gz JDSQLVUAKXYRLX-BXUZGUMPSA-N 0 1 324.877 4.061 20 10 DICDMN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841744482 1047447046 /nfs/dbraw/zinc/44/70/46/1047447046.db2.gz HYWOCFKLFIQXJM-PXAZEXFGSA-N 0 1 305.805 4.084 20 10 DICDMN C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841744467 1047447102 /nfs/dbraw/zinc/44/71/02/1047447102.db2.gz OJKWJNHBNYGLOH-NHYWBVRUSA-N 0 1 324.877 4.061 20 10 DICDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841747651 1047448202 /nfs/dbraw/zinc/44/82/02/1047448202.db2.gz GYHVCUYOXVZUIY-LRDDRELGSA-N 0 1 305.805 4.084 20 10 DICDMN C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(Cl)cc1[O-] ZINC000841747566 1047448336 /nfs/dbraw/zinc/44/83/36/1047448336.db2.gz CMKNYVRJSGFXNQ-VIFPVBQESA-N 0 1 308.834 4.230 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1c(C)nn(C)c1C ZINC000841748508 1047448386 /nfs/dbraw/zinc/44/83/86/1047448386.db2.gz ADNHHLTVTVVSJN-BMIGLBTASA-N 0 1 321.852 4.198 20 10 DICDMN C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841747096 1047448420 /nfs/dbraw/zinc/44/84/20/1047448420.db2.gz NQKZTZGWIZKRPT-NSHDSACASA-N 0 1 322.811 4.102 20 10 DICDMN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Cl)cc1[O-] ZINC000841747997 1047448496 /nfs/dbraw/zinc/44/84/96/1047448496.db2.gz VHKVRHVEXOMMJN-BONVTDFDSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841748947 1047449808 /nfs/dbraw/zinc/44/98/08/1047449808.db2.gz CFCDKMMTMOHFEL-CXAGYDPISA-N 0 1 319.832 4.210 20 10 DICDMN COc1ccc(C2([NH2+][C@H](C)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000841751107 1047450096 /nfs/dbraw/zinc/45/00/96/1047450096.db2.gz WQFDYTRFNHUTJO-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751808 1047451289 /nfs/dbraw/zinc/45/12/89/1047451289.db2.gz KPJCAABZXFRXSB-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(Cl)cc1[O-] ZINC000841753752 1047452116 /nfs/dbraw/zinc/45/21/16/1047452116.db2.gz VPQZRFYZXIAAFY-ZUZCIYMTSA-N 0 1 321.779 4.359 20 10 DICDMN COCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000841753148 1047452602 /nfs/dbraw/zinc/45/26/02/1047452602.db2.gz JTCRCCMVRRFZBN-FZMZJTMJSA-N 0 1 309.793 4.067 20 10 DICDMN CCc1nc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841757255 1047453569 /nfs/dbraw/zinc/45/35/69/1047453569.db2.gz COYSTNILIZJRJQ-VHSXEESVSA-N 0 1 310.850 4.476 20 10 DICDMN CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756795 1047453654 /nfs/dbraw/zinc/45/36/54/1047453654.db2.gz CHWUBHUUGBVLMH-SNVBAGLBSA-N 0 1 308.809 4.009 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000750037217 1047455044 /nfs/dbraw/zinc/45/50/44/1047455044.db2.gz WTECMBSQLVOZNA-JTQLQIEISA-N 0 1 307.821 4.011 20 10 DICDMN c1ccc2c(c1)COC[C@@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000841889969 1047460863 /nfs/dbraw/zinc/46/08/63/1047460863.db2.gz FLGDTVGFZPOVQY-NRFANRHFSA-N 0 1 322.452 4.038 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524678 1047465418 /nfs/dbraw/zinc/46/54/18/1047465418.db2.gz GICCVUQROAXOIJ-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524679 1047465559 /nfs/dbraw/zinc/46/55/59/1047465559.db2.gz GICCVUQROAXOIJ-MRXNPFEDSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccc2c(c1)CN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143110329 1047531975 /nfs/dbraw/zinc/53/19/75/1047531975.db2.gz CZJWAFVSYNMGPG-UHFFFAOYSA-N 0 1 311.425 4.214 20 10 DICDMN CC[C@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1cc(Cl)ccc1[O-] ZINC000927069710 1047795753 /nfs/dbraw/zinc/79/57/53/1047795753.db2.gz MPCMMOVSNXQIFS-RDJZCZTQSA-N 0 1 321.852 4.217 20 10 DICDMN Nc1ccc(Cc2ccc(Nc3ccc4c[nH]nc4c3)cc2)cc1 ZINC001174501291 1047870760 /nfs/dbraw/zinc/87/07/60/1047870760.db2.gz LAZHDNQRVXRJDV-UHFFFAOYSA-N 0 1 314.392 4.480 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001183406209 1047924381 /nfs/dbraw/zinc/92/43/81/1047924381.db2.gz CPLDGJCIBIMOAL-GOSISDBHSA-N 0 1 321.342 4.131 20 10 DICDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203574249 1047953314 /nfs/dbraw/zinc/95/33/14/1047953314.db2.gz RECBVXIBSBOSKK-CQSZACIVSA-N 0 1 306.208 4.413 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001203574491 1047957161 /nfs/dbraw/zinc/95/71/61/1047957161.db2.gz YIQSSALGEKZWIG-KCJUWKMLSA-N 0 1 322.182 4.176 20 10 DICDMN C[C@@H]1CCCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160600608 1048070095 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[O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001203657819 1048950634 /nfs/dbraw/zinc/95/06/34/1048950634.db2.gz NSKVYMRLMDFDCF-OAHLLOKOSA-N 0 1 301.817 4.110 20 10 DICDMN COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])c1 ZINC001203663713 1048953279 /nfs/dbraw/zinc/95/32/79/1048953279.db2.gz FDEFWMAGCQAVAD-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])c1 ZINC001203663713 1048953292 /nfs/dbraw/zinc/95/32/92/1048953292.db2.gz FDEFWMAGCQAVAD-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001203664727 1048953552 /nfs/dbraw/zinc/95/35/52/1048953552.db2.gz SHJGSXAEIGRPOC-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001203664727 1048953565 /nfs/dbraw/zinc/95/35/65/1048953565.db2.gz SHJGSXAEIGRPOC-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854223099 1048954951 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CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775508913 1049049554 /nfs/dbraw/zinc/04/95/54/1049049554.db2.gz YIGHGJWWXQZIJD-OTYXRUKQSA-N 0 1 308.809 4.452 20 10 DICDMN CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775513443 1049050015 /nfs/dbraw/zinc/05/00/15/1049050015.db2.gz JKVCRTCNOGJLII-DIOULYMOSA-N 0 1 323.820 4.192 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c(Cl)c1 ZINC001178601262 1049064890 /nfs/dbraw/zinc/06/48/90/1049064890.db2.gz MUJZBNBUIXIYTI-SHTZXODSSA-N 0 1 301.817 4.390 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000775520886 1049070726 /nfs/dbraw/zinc/07/07/26/1049070726.db2.gz ZYCRRXISJBMATR-HNNXBMFYSA-N 0 1 320.776 4.195 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C(C)C)c1O ZINC001204153789 1049095990 /nfs/dbraw/zinc/09/59/90/1049095990.db2.gz KCZIOANWIASMKM-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775527676 1049098026 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CC[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775554589 1049146821 /nfs/dbraw/zinc/14/68/21/1049146821.db2.gz BVDUYCNEGSGPAV-HOCLYGCPSA-N 0 1 311.853 4.436 20 10 DICDMN CC[C@H](N[C@H](C)c1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775555900 1049153598 /nfs/dbraw/zinc/15/35/98/1049153598.db2.gz SMZKKBMNNSXUJL-PELKAZGASA-N 0 1 311.838 4.007 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccc1F)Cc1cccc(F)c1[O-] ZINC001204431686 1049162598 /nfs/dbraw/zinc/16/25/98/1049162598.db2.gz QCVXGCHMEKYPNV-UHFFFAOYSA-N 0 1 305.368 4.329 20 10 DICDMN CCN(CC)c1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC001179515751 1049173295 /nfs/dbraw/zinc/17/32/95/1049173295.db2.gz IAUXSKAAGJTKTD-UHFFFAOYSA-N 0 1 309.457 4.419 20 10 DICDMN CCCOc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1C ZINC001179507526 1049175331 /nfs/dbraw/zinc/17/53/31/1049175331.db2.gz YAVKZKKATXQNCA-UHFFFAOYSA-N 0 1 319.832 4.433 20 10 DICDMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(O)c(O)c(Cl)c1 ZINC001193625167 1049232733 /nfs/dbraw/zinc/23/27/33/1049232733.db2.gz 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[O-]c1ccc(Cl)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000769317431 1052024685 /nfs/dbraw/zinc/02/46/85/1052024685.db2.gz QWWKVUJYDZYNTI-GOSISDBHSA-N 0 1 317.816 4.009 20 10 DICDMN CCOc1cccc(CN2CCc3c(Cl)cccc3C2)c1O ZINC000769387519 1052036928 /nfs/dbraw/zinc/03/69/28/1052036928.db2.gz LEGQGMNMIJVXRG-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c1[O-] ZINC000808708534 1052070160 /nfs/dbraw/zinc/07/01/60/1052070160.db2.gz MRGBGWIOHZVBCT-BLLLJJGKSA-N 0 1 313.869 4.048 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c1[O-] ZINC000808708535 1052071546 /nfs/dbraw/zinc/07/15/46/1052071546.db2.gz MRGBGWIOHZVBCT-LRDDRELGSA-N 0 1 313.869 4.048 20 10 DICDMN Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000769538795 1052077530 /nfs/dbraw/zinc/07/75/30/1052077530.db2.gz WQVSWYYWBFZEKF-INIZCTEOSA-N 0 1 304.821 4.111 20 10 DICDMN Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000769538795 1052077553 /nfs/dbraw/zinc/07/75/53/1052077553.db2.gz WQVSWYYWBFZEKF-INIZCTEOSA-N 0 1 304.821 4.111 20 10 DICDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]2CCCC[C@H]12 ZINC000915208802 1052366926 /nfs/dbraw/zinc/36/69/26/1052366926.db2.gz IDXAPMWWNPWXTC-IDHHARJASA-N 0 1 310.441 4.341 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]2CCCC[C@H]12 ZINC000915208802 1052366931 /nfs/dbraw/zinc/36/69/31/1052366931.db2.gz IDXAPMWWNPWXTC-IDHHARJASA-N 0 1 310.441 4.341 20 10 DICDMN COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000317361038 1052385727 /nfs/dbraw/zinc/38/57/27/1052385727.db2.gz ISJLRINVKMPKIY-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000317361038 1052385733 /nfs/dbraw/zinc/38/57/33/1052385733.db2.gz ISJLRINVKMPKIY-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000917480073 1052729218 /nfs/dbraw/zinc/72/92/18/1052729218.db2.gz IJGCGTYZLFXBSE-IBGZPJMESA-N 0 1 310.441 4.485 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000917480073 1052729228 /nfs/dbraw/zinc/72/92/28/1052729228.db2.gz IJGCGTYZLFXBSE-IBGZPJMESA-N 0 1 310.441 4.485 20 10 DICDMN CO[C@@H](C)CCOC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227488652 1052995422 /nfs/dbraw/zinc/99/54/22/1052995422.db2.gz HTKLDZCPTZGSPF-RUWSDDDDSA-N 0 1 301.346 4.006 20 10 DICDMN C[C@H]1CC[C@@H](COC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)O1 ZINC001227486487 1052995447 /nfs/dbraw/zinc/99/54/47/1052995447.db2.gz JCCXFUBELNSIEP-SYOMDXEUSA-N 0 1 313.357 4.149 20 10 DICDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(OC2CCC(=O)CC2)=C1 ZINC001227486747 1052995495 /nfs/dbraw/zinc/99/54/95/1052995495.db2.gz KUOPKPPRJSYLTO-FMQUCBEESA-N 0 1 311.341 4.093 20 10 DICDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(O[C@H]2CCCCC2=O)=C1 ZINC001227492577 1052995980 /nfs/dbraw/zinc/99/59/80/1052995980.db2.gz SCTHACNHICIFBK-CVTQAYBASA-N 0 1 311.341 4.093 20 10 DICDMN Cc1cccc(CN(Cc2ccco2)Cc2ccc(O)cc2)c1O ZINC000180029967 1053041759 /nfs/dbraw/zinc/04/17/59/1053041759.db2.gz YZNKSHIRSRLULO-UHFFFAOYSA-N 0 1 323.392 4.202 20 10 DICDMN CCN(CC)c1ccc(CN[C@H](C)c2nc(C)cs2)cc1 ZINC000069168498 1053127742 /nfs/dbraw/zinc/12/77/42/1053127742.db2.gz PRWPFOCTVSJRIU-CQSZACIVSA-N 0 1 303.475 4.149 20 10 DICDMN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(C)s1 ZINC001319415030 1053241042 /nfs/dbraw/zinc/24/10/42/1053241042.db2.gz NPMSHUATDMRRMK-UHFFFAOYSA-N 0 1 317.502 4.237 20 10 DICDMN CCN(C)c1ccc(CN[C@H](c2nc(C)cs2)C2CC2)cc1 ZINC001320859885 1053367707 /nfs/dbraw/zinc/36/77/07/1053367707.db2.gz YVYGRSHJGZYPMX-KRWDZBQOSA-N 0 1 315.486 4.149 20 10 DICDMN COc1ccc(O)c([C@H](C)NCc2csc(C(C)(C)C)n2)c1 ZINC000182429483 1053432352 /nfs/dbraw/zinc/43/23/52/1053432352.db2.gz UKVFEJQAIWVMDF-NSHDSACASA-N 0 1 320.458 4.006 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC1(F)F ZINC001237078371 1053433636 /nfs/dbraw/zinc/43/36/36/1053433636.db2.gz QFDBPMWDUNKOAW-MRVPVSSYSA-N 0 1 310.171 4.176 20 10 DICDMN Cc1cccnc1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC001323660136 1053593708 /nfs/dbraw/zinc/59/37/08/1053593708.db2.gz PXKCXBQPDHIVEY-UHFFFAOYSA-N 0 1 323.484 4.449 20 10 DICDMN [O-]c1c(C[NH2+]Cc2ccc3c(c2)CCC3)ccc2ccccc21 ZINC001326327486 1053774255 /nfs/dbraw/zinc/77/42/55/1053774255.db2.gz SBWWFTQQDHMEIO-UHFFFAOYSA-N 0 1 303.405 4.324 20 10 DICDMN [O-]c1ccc2ccccc2c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001231589580 1053792148 /nfs/dbraw/zinc/79/21/48/1053792148.db2.gz LVVCUKXSVGDPAA-UHFFFAOYSA-N 0 1 311.425 4.079 20 10 DICDMN [O-]c1ccc2ccccc2c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001231589580 1053792156 /nfs/dbraw/zinc/79/21/56/1053792156.db2.gz LVVCUKXSVGDPAA-UHFFFAOYSA-N 0 1 311.425 4.079 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cccc(C)c1O ZINC001231594699 1053793479 /nfs/dbraw/zinc/79/34/79/1053793479.db2.gz NQWACUBILYKYEX-SFHVURJKSA-N 0 1 311.425 4.184 20 10 DICDMN Cc1nnc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2O)s1 ZINC000274281534 1053863149 /nfs/dbraw/zinc/86/31/49/1053863149.db2.gz YMJOOWBKLHDVPX-GHMZBOCLSA-N 0 1 313.426 4.117 20 10 DICDMN Cc1cc(C)c(CN(C)Cc2ncccc2C(F)(F)F)c(O)c1 ZINC001231841886 1053887265 /nfs/dbraw/zinc/88/72/65/1053887265.db2.gz FRXYISIHAABCOG-UHFFFAOYSA-N 0 1 324.346 4.055 20 10 DICDMN Cc1cc(O)c(CN2CCCC[C@H]2c2cccnc2)cc1Cl ZINC001231868320 1053895205 /nfs/dbraw/zinc/89/52/05/1053895205.db2.gz AEUPKPMPELSJSK-KRWDZBQOSA-N 0 1 316.832 4.476 20 10 DICDMN COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231870882 1053898968 /nfs/dbraw/zinc/89/89/68/1053898968.db2.gz VXKOONYQWADPSO-UHFFFAOYSA-N 0 1 319.832 4.037 20 10 DICDMN COc1ccccc1CC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870882 1053898988 /nfs/dbraw/zinc/89/89/88/1053898988.db2.gz VXKOONYQWADPSO-UHFFFAOYSA-N 0 1 319.832 4.037 20 10 DICDMN COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870882 1053899005 /nfs/dbraw/zinc/89/90/05/1053899005.db2.gz VXKOONYQWADPSO-UHFFFAOYSA-N 0 1 319.832 4.037 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)cc1Cl ZINC001231870170 1053899419 /nfs/dbraw/zinc/89/94/19/1053899419.db2.gz MCNBCENNIDAPAL-CQSZACIVSA-N 0 1 311.828 4.458 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1Cl ZINC001231870872 1053900294 /nfs/dbraw/zinc/90/02/94/1053900294.db2.gz VSDNDSNYKGLRQN-AWEZNQCLSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1Cl ZINC001231870872 1053900301 /nfs/dbraw/zinc/90/03/01/1053900301.db2.gz VSDNDSNYKGLRQN-AWEZNQCLSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1Cl ZINC001231870872 1053900310 /nfs/dbraw/zinc/90/03/10/1053900310.db2.gz VSDNDSNYKGLRQN-AWEZNQCLSA-N 0 1 316.832 4.129 20 10 DICDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])CCC1(F)F ZINC001231879985 1053901234 /nfs/dbraw/zinc/90/12/34/1053901234.db2.gz ZEQLBKHCYDCHJW-UHFFFAOYSA-N 0 1 305.368 4.413 20 10 DICDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC1(F)F ZINC001231879985 1053901240 /nfs/dbraw/zinc/90/12/40/1053901240.db2.gz ZEQLBKHCYDCHJW-UHFFFAOYSA-N 0 1 305.368 4.413 20 10 DICDMN [O-]c1c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc2ccccc21 ZINC001231879342 1053901604 /nfs/dbraw/zinc/90/16/04/1053901604.db2.gz CEEJVNKKKJZELO-CJNGLKHVSA-N 0 1 303.352 4.023 20 10 DICDMN [O-]c1c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc2ccccc21 ZINC001231879342 1053901611 /nfs/dbraw/zinc/90/16/11/1053901611.db2.gz CEEJVNKKKJZELO-CJNGLKHVSA-N 0 1 303.352 4.023 20 10 DICDMN Cc1cccc2c1CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001231879553 1053902489 /nfs/dbraw/zinc/90/24/89/1053902489.db2.gz IFYWDZQEXNJGFV-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN Cc1cccc2c1CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001231879553 1053902501 /nfs/dbraw/zinc/90/25/01/1053902501.db2.gz IFYWDZQEXNJGFV-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc2ccccc2c1O ZINC001231882715 1053904619 /nfs/dbraw/zinc/90/46/19/1053904619.db2.gz LBILAFJESDNLEW-QPJJXVBHSA-N 0 1 318.420 4.476 20 10 DICDMN C[N@H+](CC/C=C/c1cccnc1)Cc1ccc2ccccc2c1[O-] ZINC001231882715 1053904622 /nfs/dbraw/zinc/90/46/22/1053904622.db2.gz LBILAFJESDNLEW-QPJJXVBHSA-N 0 1 318.420 4.476 20 10 DICDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc2ccccc2c1[O-] ZINC001231882715 1053904628 /nfs/dbraw/zinc/90/46/28/1053904628.db2.gz LBILAFJESDNLEW-QPJJXVBHSA-N 0 1 318.420 4.476 20 10 DICDMN CN(Cc1ccc2ccccc2c1O)Cc1cccc(F)c1F ZINC001231883977 1053906472 /nfs/dbraw/zinc/90/64/72/1053906472.db2.gz WJEXGCDFNRLGMW-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN CN(Cc1cccc(Cl)c1O)[C@H](C1CCC1)C(F)(F)F ZINC001231912785 1053914406 /nfs/dbraw/zinc/91/44/06/1053914406.db2.gz ZNFLSEBRUAALRM-CYBMUJFWSA-N 0 1 307.743 4.208 20 10 DICDMN COc1cc([O-])c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1Cl ZINC001232266952 1054004833 /nfs/dbraw/zinc/00/48/33/1054004833.db2.gz TUHZTIVTFYHTRK-LBPRGKRZSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1Cl ZINC001232266952 1054004848 /nfs/dbraw/zinc/00/48/48/1054004848.db2.gz TUHZTIVTFYHTRK-LBPRGKRZSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[NH+]2CCC3(CCCC3)CC2)cc1Cl ZINC001232265874 1054005169 /nfs/dbraw/zinc/00/51/69/1054005169.db2.gz GRZDJUWDZBNFDR-UHFFFAOYSA-N 0 1 309.837 4.210 20 10 DICDMN Cc1cccnc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000296331360 1054088091 /nfs/dbraw/zinc/08/80/91/1054088091.db2.gz HGRCHQXTSIAZEZ-OAHLLOKOSA-N 0 1 306.409 4.142 20 10 DICDMN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000848557804 1054149442 /nfs/dbraw/zinc/14/94/42/1054149442.db2.gz HOERGIOUSRIVDX-YMRXKLBXSA-N 0 1 309.837 4.044 20 10 DICDMN Cc1cnc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000848560498 1054149719 /nfs/dbraw/zinc/14/97/19/1054149719.db2.gz MZHQFMSSAJWYMA-MRXNPFEDSA-N 0 1 320.436 4.451 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H](c3ccccc3)C2)ccc(F)c1F ZINC001233076597 1054179149 /nfs/dbraw/zinc/17/91/49/1054179149.db2.gz BMJITBMCEXLYCV-AWEZNQCLSA-N 0 1 303.352 4.050 20 10 DICDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233078124 1054182840 /nfs/dbraw/zinc/18/28/40/1054182840.db2.gz GVBMAQPCJRMQOM-MRXNPFEDSA-N 0 1 303.352 4.180 20 10 DICDMN C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233194032 1054199121 /nfs/dbraw/zinc/19/91/21/1054199121.db2.gz JWNCRHJZFIRASZ-LLVKDONJSA-N 0 1 320.230 4.292 20 10 DICDMN CCN(Cc1ccccc1O)Cc1ccc(Cl)c(F)c1F ZINC001233212113 1054203958 /nfs/dbraw/zinc/20/39/58/1054203958.db2.gz JCNFJMQQVUJARX-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCCC(F)(F)[C@H](F)C2)c1 ZINC001233284435 1054222024 /nfs/dbraw/zinc/22/20/24/1054222024.db2.gz USMNCLMLNJYQNS-OAHLLOKOSA-N 0 1 315.379 4.259 20 10 DICDMN C[N@@H+](Cc1ccccc1F)Cc1cc(C(C)(C)C)ccc1O ZINC001233286109 1054222119 /nfs/dbraw/zinc/22/21/19/1054222119.db2.gz FZNLPIBSDXTCOY-UHFFFAOYSA-N 0 1 301.405 4.461 20 10 DICDMN CN(Cc1ccccc1F)Cc1cc(C(C)(C)C)ccc1O ZINC001233286109 1054222127 /nfs/dbraw/zinc/22/21/27/1054222127.db2.gz FZNLPIBSDXTCOY-UHFFFAOYSA-N 0 1 301.405 4.461 20 10 DICDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336128 1054238377 /nfs/dbraw/zinc/23/83/77/1054238377.db2.gz ZPSDBGYLYYVOSH-INIZCTEOSA-N 0 1 303.352 4.180 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001233336708 1054238960 /nfs/dbraw/zinc/23/89/60/1054238960.db2.gz WPMBUCUHYKOMKK-AWEZNQCLSA-N 0 1 321.342 4.017 20 10 DICDMN CC[N@@H+](Cc1cccs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419162 1054266151 /nfs/dbraw/zinc/26/61/51/1054266151.db2.gz LOFMBBPBWADFJY-UHFFFAOYSA-N 0 1 315.360 4.495 20 10 DICDMN [O-]c1c(C[N@H+]2CCCC(F)(F)CC2)cccc1C(F)(F)F ZINC001233415937 1054266800 /nfs/dbraw/zinc/26/68/00/1054266800.db2.gz PBUGBSXURVFGMN-UHFFFAOYSA-N 0 1 309.278 4.032 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@H]2c2ccccc2)cccc1C(F)(F)F ZINC001233418782 1054267143 /nfs/dbraw/zinc/26/71/43/1054267143.db2.gz WKYKKYXWRQBBCS-HNNXBMFYSA-N 0 1 307.315 4.358 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1nc(C2CC2)cs1 ZINC001337797717 1054286326 /nfs/dbraw/zinc/28/63/26/1054286326.db2.gz BWOXDENNNWYZNI-YPMHNXCESA-N 0 1 314.454 4.373 20 10 DICDMN CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760059 1054353955 /nfs/dbraw/zinc/35/39/55/1054353955.db2.gz AWNRBHMGZLDLMT-LBPRGKRZSA-N 0 1 303.324 4.055 20 10 DICDMN CC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760059 1054353972 /nfs/dbraw/zinc/35/39/72/1054353972.db2.gz AWNRBHMGZLDLMT-LBPRGKRZSA-N 0 1 303.324 4.055 20 10 DICDMN C[C@H]([NH2+]CCc1ccccc1O)c1ccc2ccccc2c1[O-] ZINC000185303052 1054513342 /nfs/dbraw/zinc/51/33/42/1054513342.db2.gz FCERNIDLZRPQAQ-AWEZNQCLSA-N 0 1 307.393 4.144 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@](C)(F)CC3)c2c1 ZINC001234525413 1054543752 /nfs/dbraw/zinc/54/37/52/1054543752.db2.gz GKKVGQLFRUMNNS-IBGZPJMESA-N 0 1 317.404 4.268 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@](C)(F)CC3)c2c1 ZINC001234525413 1054543762 /nfs/dbraw/zinc/54/37/62/1054543762.db2.gz GKKVGQLFRUMNNS-IBGZPJMESA-N 0 1 317.404 4.268 20 10 DICDMN Cc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000185421946 1054546075 /nfs/dbraw/zinc/54/60/75/1054546075.db2.gz VCVYDVFTVMTWRH-OAHLLOKOSA-N 0 1 306.409 4.142 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000185566908 1054583479 /nfs/dbraw/zinc/58/34/79/1054583479.db2.gz IONOFHRGRCSGPR-STQMWFEESA-N 0 1 303.377 4.260 20 10 DICDMN Cc1nc2c(s1)CN(Cc1ccc(C(C)(C)C)cc1O)CC2 ZINC001235683475 1054773780 /nfs/dbraw/zinc/77/37/80/1054773780.db2.gz GKJGZCAMTOMZNS-UHFFFAOYSA-N 0 1 316.470 4.013 20 10 DICDMN CN(Cc1ccc(C(C)(C)C)cc1O)Cc1ccccc1F ZINC001235685178 1054776797 /nfs/dbraw/zinc/77/67/97/1054776797.db2.gz MJFLJTVXWHHYFS-UHFFFAOYSA-N 0 1 301.405 4.461 20 10 DICDMN CC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236668356 1055221635 /nfs/dbraw/zinc/22/16/35/1055221635.db2.gz COQQRYWBCNILMX-LBPRGKRZSA-N 0 1 312.251 4.085 20 10 DICDMN CCc1ccc(C[N@H+](CC)Cc2cccc(F)c2F)c(O)c1 ZINC001236786294 1055258888 /nfs/dbraw/zinc/25/88/88/1055258888.db2.gz AKGXPDVLLQDVAL-UHFFFAOYSA-N 0 1 305.368 4.255 20 10 DICDMN CCc1ccc(CN(CC)Cc2cccc(F)c2F)c(O)c1 ZINC001236786294 1055258899 /nfs/dbraw/zinc/25/88/99/1055258899.db2.gz AKGXPDVLLQDVAL-UHFFFAOYSA-N 0 1 305.368 4.255 20 10 DICDMN C[N@@H+](CCc1cccs1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236797401 1055264420 /nfs/dbraw/zinc/26/44/20/1055264420.db2.gz XNPMYEYWWWJMGF-UHFFFAOYSA-N 0 1 316.253 4.435 20 10 DICDMN C[N@@H+](Cc1cccs1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236796792 1055264642 /nfs/dbraw/zinc/26/46/42/1055264642.db2.gz RCJSPPZHRRZZLM-UHFFFAOYSA-N 0 1 302.226 4.393 20 10 DICDMN COc1cc([O-])c(C[N@H+](C)CCCc2ccccc2)c(Cl)c1 ZINC001236798377 1055265681 /nfs/dbraw/zinc/26/56/81/1055265681.db2.gz FZHSSFDVVRAUGC-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1cc([O-])c(C[N@@H+](C)CCCc2ccccc2)c(Cl)c1 ZINC001236798377 1055265690 /nfs/dbraw/zinc/26/56/90/1055265690.db2.gz FZHSSFDVVRAUGC-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([O-])c1Cl ZINC001236800686 1055266804 /nfs/dbraw/zinc/26/68/04/1055266804.db2.gz CXLXUDMOVGYEQZ-UHFFFAOYSA-N 0 1 309.837 4.210 20 10 DICDMN CC(C)[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1CCOCC1 ZINC001236805183 1055267334 /nfs/dbraw/zinc/26/73/34/1055267334.db2.gz WSTFARWADJJCPF-UHFFFAOYSA-N 0 1 318.244 4.088 20 10 DICDMN COc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c(O)c1 ZINC001236814845 1055271796 /nfs/dbraw/zinc/27/17/96/1055271796.db2.gz WWZUVAXVMJXQCD-IBGZPJMESA-N 0 1 311.425 4.355 20 10 DICDMN COc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1Cl ZINC001236809637 1055273201 /nfs/dbraw/zinc/27/32/01/1055273201.db2.gz NEIATCZUZSNRJE-CHWSQXEVSA-N 0 1 309.837 4.066 20 10 DICDMN COc1cc(C)c(C[N@H+](C)C(C)(C)Cc2ccccc2)c([O-])c1 ZINC001236821655 1055275574 /nfs/dbraw/zinc/27/55/74/1055275574.db2.gz SGYJBUWJHFQXQZ-UHFFFAOYSA-N 0 1 313.441 4.162 20 10 DICDMN COc1cc(C)c(C[N@@H+](C)C(C)(C)Cc2ccccc2)c([O-])c1 ZINC001236821655 1055275582 /nfs/dbraw/zinc/27/55/82/1055275582.db2.gz SGYJBUWJHFQXQZ-UHFFFAOYSA-N 0 1 313.441 4.162 20 10 DICDMN Oc1cc2ccccc2cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001236826414 1055279034 /nfs/dbraw/zinc/27/90/34/1055279034.db2.gz JCFWPZILJIUHRI-INIZCTEOSA-N 0 1 309.331 4.115 20 10 DICDMN CC(C)c1ccc(CN2CCC[C@H]2c2nccs2)c(O)c1 ZINC001237050051 1055348888 /nfs/dbraw/zinc/34/88/88/1055348888.db2.gz WKULWVGTHHNRSJ-HNNXBMFYSA-N 0 1 302.443 4.309 20 10 DICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001237080061 1055365362 /nfs/dbraw/zinc/36/53/62/1055365362.db2.gz RIGIGEOZXCRMRQ-DTORHVGOSA-N 0 1 322.182 4.176 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001237127396 1055377846 /nfs/dbraw/zinc/37/78/46/1055377846.db2.gz ZFWVEZRDXUFEOU-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001237127396 1055377863 /nfs/dbraw/zinc/37/78/63/1055377863.db2.gz ZFWVEZRDXUFEOU-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001237131831 1055380379 /nfs/dbraw/zinc/38/03/79/1055380379.db2.gz XONGQZISERNNIF-LLVKDONJSA-N 0 1 315.791 4.289 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCc2ccccc2C1 ZINC001237126969 1055380767 /nfs/dbraw/zinc/38/07/67/1055380767.db2.gz RDSPCIBJQFDTOC-UHFFFAOYSA-N 0 1 305.780 4.133 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCc2ccccc2C1 ZINC001237126969 1055380785 /nfs/dbraw/zinc/38/07/85/1055380785.db2.gz RDSPCIBJQFDTOC-UHFFFAOYSA-N 0 1 305.780 4.133 20 10 DICDMN CC[C@H](NCc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000765462664 1055398776 /nfs/dbraw/zinc/39/87/76/1055398776.db2.gz DWFLTOHUJVEMGV-SFHVURJKSA-N 0 1 304.384 4.272 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1c(C)cccc1O ZINC001237494791 1055462268 /nfs/dbraw/zinc/46/22/68/1055462268.db2.gz LLJBRSVMTRJSEI-SFHVURJKSA-N 0 1 311.425 4.184 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237624039 1055488980 /nfs/dbraw/zinc/48/89/80/1055488980.db2.gz VJYOMDIHNZUSNG-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN CCC(CC)[C@@H](CC[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC001620868424 1055496073 /nfs/dbraw/zinc/49/60/73/1055496073.db2.gz CKKANAJIVPPGKB-QGZVFWFLSA-N 0 1 313.869 4.285 20 10 DICDMN CCC(CC)[N@@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237683342 1055502160 /nfs/dbraw/zinc/50/21/60/1055502160.db2.gz 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1055562433 /nfs/dbraw/zinc/56/24/33/1055562433.db2.gz XGKLCYWVFVAZDV-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN CCOc1cc(F)c(F)cc1CN(CC)Cc1ccccc1O ZINC001238661749 1055712053 /nfs/dbraw/zinc/71/20/53/1055712053.db2.gz QKQWZAWDDINNSL-UHFFFAOYSA-N 0 1 321.367 4.091 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1noc2ccc(F)cc12 ZINC001621037380 1055998092 /nfs/dbraw/zinc/99/80/92/1055998092.db2.gz KGPIJYJHJHELQE-UHFFFAOYSA-N 0 1 323.371 4.057 20 10 DICDMN CC[C@@](C)(NCc1c(C)c2ccccc2n1C)c1nccs1 ZINC001620806283 1056000618 /nfs/dbraw/zinc/00/06/18/1056000618.db2.gz CJTIFZSJNNFHMY-GOSISDBHSA-N 0 1 313.470 4.358 20 10 DICDMN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(CC)CC ZINC001620819612 1056132645 /nfs/dbraw/zinc/13/26/45/1056132645.db2.gz XHGOIPRQVSPIDI-HOTGVXAUSA-N 0 1 311.853 4.119 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1nc2ccccc2s1 ZINC000921742117 1056438645 /nfs/dbraw/zinc/43/86/45/1056438645.db2.gz CIWQTWRZGTYEMT-ZDUSSCGKSA-N 0 1 324.449 4.472 20 10 DICDMN CC[C@H](NCc1ccc2c(c1)CCCO2)c1nc2ccccc2[nH]1 ZINC000921759905 1056464926 /nfs/dbraw/zinc/46/49/26/1056464926.db2.gz BVYIYLPWJWJRPI-INIZCTEOSA-N 0 1 321.424 4.129 20 10 DICDMN Oc1ccccc1CN(Cc1scnc1Cl)C1CCCC1 ZINC001615465498 1056514965 /nfs/dbraw/zinc/51/49/65/1056514965.db2.gz DLIBDMINOZAKGF-UHFFFAOYSA-N 0 1 322.861 4.447 20 10 DICDMN Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000282420264 1057102681 /nfs/dbraw/zinc/10/26/81/1057102681.db2.gz CQUGJWTYZODIFZ-JTQLQIEISA-N 0 1 311.212 4.253 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2cc(F)ccc2F)cc1 ZINC000133015879 1057163409 /nfs/dbraw/zinc/16/34/09/1057163409.db2.gz APKWPNFDYVKDEQ-CYBMUJFWSA-N 0 1 304.384 4.272 20 10 DICDMN Cc1cc(O)c(CN(C)Cc2ccc(F)cc2Cl)cc1C ZINC000730454813 1057715550 /nfs/dbraw/zinc/71/55/50/1057715550.db2.gz NMTLIBGMJMFRLW-UHFFFAOYSA-N 0 1 307.796 4.434 20 10 DICDMN CCN(c1ccccc1)c1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243932793 1057811346 /nfs/dbraw/zinc/81/13/46/1057811346.db2.gz PXPSRXUUKXFTAL-UHFFFAOYSA-N 0 1 315.380 4.178 20 10 DICDMN CC(C)c1cnc(CN(Cc2ccccc2O)C2CCCC2)o1 ZINC000733310181 1057812153 /nfs/dbraw/zinc/81/21/53/1057812153.db2.gz NMYARUCBAYHLLY-UHFFFAOYSA-N 0 1 314.429 4.448 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCSc1ccccc1 ZINC000733323000 1057812285 /nfs/dbraw/zinc/81/22/85/1057812285.db2.gz IKRCOCMRCSNRJJ-UHFFFAOYSA-N 0 1 307.846 4.318 20 10 DICDMN CC[C@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001556883926 1058665190 /nfs/dbraw/zinc/66/51/90/1058665190.db2.gz IGUWQPYEPOHMIM-JOYOIKCWSA-N 0 1 316.228 4.142 20 10 DICDMN CCN(Cc1ccc(N(C)C)c(C)c1)Cc1ccccc1F ZINC001559506953 1059299098 /nfs/dbraw/zinc/29/90/98/1059299098.db2.gz LPJKUDBVVLAEGR-UHFFFAOYSA-N 0 1 300.421 4.222 20 10 DICDMN C=C/C=C\CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001559568989 1059395527 /nfs/dbraw/zinc/39/55/27/1059395527.db2.gz LPBRHXHCMYWRDZ-WAYWQWQTSA-N 0 1 310.235 4.109 20 10 DICDMN C=C/C=C\CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001559568989 1059395545 /nfs/dbraw/zinc/39/55/45/1059395545.db2.gz LPBRHXHCMYWRDZ-WAYWQWQTSA-N 0 1 310.235 4.109 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C2CCCCC2)c1[O-] ZINC001559806357 1059643057 /nfs/dbraw/zinc/64/30/57/1059643057.db2.gz RVYPFTIINHZSAW-LBPRGKRZSA-N 0 1 307.409 4.135 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)c1[O-] ZINC001560096102 1059905881 /nfs/dbraw/zinc/90/58/81/1059905881.db2.gz LXIRUPBGGIQQHH-IBGZPJMESA-N 0 1 319.420 4.279 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]2(C)C2CCCCC2)c1[O-] ZINC001560096102 1059905907 /nfs/dbraw/zinc/90/59/07/1059905907.db2.gz LXIRUPBGGIQQHH-IBGZPJMESA-N 0 1 319.420 4.279 20 10 DICDMN Oc1cccc2c1CN(Cc1cnc3ccccc3c1Cl)CC2 ZINC001248814120 1059991678 /nfs/dbraw/zinc/99/16/78/1059991678.db2.gz ZGWCVYJOOPAUEP-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN CC(=O)C1CC[NH+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248883992 1060037738 /nfs/dbraw/zinc/03/77/38/1060037738.db2.gz VNOHVPDCJHSUFD-UHFFFAOYSA-N 0 1 323.864 4.144 20 10 DICDMN CC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883741 1060038236 /nfs/dbraw/zinc/03/82/36/1060038236.db2.gz PIAQEDNEFJBGSK-ZDUSSCGKSA-N 0 1 323.864 4.144 20 10 DICDMN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883741 1060038254 /nfs/dbraw/zinc/03/82/54/1060038254.db2.gz PIAQEDNEFJBGSK-ZDUSSCGKSA-N 0 1 323.864 4.144 20 10 DICDMN CCCc1ccccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001560283181 1060060399 /nfs/dbraw/zinc/06/03/99/1060060399.db2.gz BJRCKTWXUXCSSS-UHFFFAOYSA-N 0 1 323.484 4.003 20 10 DICDMN CN[C@H](c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1)C(C)C ZINC001249000630 1060106930 /nfs/dbraw/zinc/10/69/30/1060106930.db2.gz ZSXQCILIUSNLAW-KRWDZBQOSA-N 0 1 324.428 4.061 20 10 DICDMN C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c([O-])cccc1Br ZINC001560322589 1060109944 /nfs/dbraw/zinc/10/99/44/1060109944.db2.gz LJYZYGAAXZOFOR-QWRGUYRKSA-N 0 1 312.251 4.069 20 10 DICDMN C[N@@H+](Cc1ccsc1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252725 1060206229 /nfs/dbraw/zinc/20/62/29/1060206229.db2.gz SCOBTIYFGQXIGR-UHFFFAOYSA-N 0 1 315.438 4.270 20 10 DICDMN CSc1ccccc1NC(=S)N[C@H](C)c1ccccc1O ZINC001249712388 1060363687 /nfs/dbraw/zinc/36/36/87/1060363687.db2.gz XQUBUEPOOMIKHW-LLVKDONJSA-N 0 1 318.467 4.162 20 10 DICDMN CN(C)c1ccc(/C=C\CN[C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001560568592 1060378337 /nfs/dbraw/zinc/37/83/37/1060378337.db2.gz UBUQZFBLGVZYKS-JVRGAZCGSA-N 0 1 324.443 4.381 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCc3ccccc3[C@H]2C)cc1Cl ZINC001560628679 1060440382 /nfs/dbraw/zinc/44/03/82/1060440382.db2.gz YUFKDVUJOQCSAG-CYBMUJFWSA-N 0 1 301.817 4.473 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCc3ccccc3[C@H]2C)cc1Cl ZINC001560628679 1060440403 /nfs/dbraw/zinc/44/04/03/1060440403.db2.gz YUFKDVUJOQCSAG-CYBMUJFWSA-N 0 1 301.817 4.473 20 10 DICDMN CC[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001560644502 1060468503 /nfs/dbraw/zinc/46/85/03/1060468503.db2.gz BJQUWACOKNTSID-HNNXBMFYSA-N 0 1 312.251 4.167 20 10 DICDMN CC[C@@]1(C)CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001560644502 1060468491 /nfs/dbraw/zinc/46/84/91/1060468491.db2.gz BJQUWACOKNTSID-HNNXBMFYSA-N 0 1 312.251 4.167 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC001560661378 1060488347 /nfs/dbraw/zinc/48/83/47/1060488347.db2.gz BVTFACABXDTDJR-QGZVFWFLSA-N 0 1 316.832 4.122 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC001560661378 1060488359 /nfs/dbraw/zinc/48/83/59/1060488359.db2.gz BVTFACABXDTDJR-QGZVFWFLSA-N 0 1 316.832 4.122 20 10 DICDMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001560693453 1060545973 /nfs/dbraw/zinc/54/59/73/1060545973.db2.gz ALMXRUHFZYHANL-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001560744613 1060610712 /nfs/dbraw/zinc/61/07/12/1060610712.db2.gz SOXDKMULSSPOKP-GFCCVEGCSA-N 0 1 324.262 4.167 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001560744613 1060610722 /nfs/dbraw/zinc/61/07/22/1060610722.db2.gz SOXDKMULSSPOKP-GFCCVEGCSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001560856611 1060715194 /nfs/dbraw/zinc/71/51/94/1060715194.db2.gz PCUAAHOMDCEFNF-INIZCTEOSA-N 0 1 323.770 4.491 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC001560913562 1060773273 /nfs/dbraw/zinc/77/32/73/1060773273.db2.gz NPMWYDYQSXTNHW-UHFFFAOYSA-N 0 1 320.801 4.052 20 10 DICDMN CC(C)c1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001560922204 1060785597 /nfs/dbraw/zinc/78/55/97/1060785597.db2.gz NDBHZXCMFSGQBA-UHFFFAOYSA-N 0 1 317.379 4.352 20 10 DICDMN Cc1oc(-c2cccs2)nc1CNCc1cc(C)ccc1O ZINC001560937990 1060802121 /nfs/dbraw/zinc/80/21/21/1060802121.db2.gz RZCXKKQUCXUALG-UHFFFAOYSA-N 0 1 314.410 4.015 20 10 DICDMN CCCSc1ccc2nc(-c3ccc(O)c(O)c3)[nH]c2c1 ZINC001250464641 1060821471 /nfs/dbraw/zinc/82/14/71/1060821471.db2.gz HBMVYLUZFOZNMU-UHFFFAOYSA-N 0 1 300.383 4.143 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cc3cnccc3o2)cc1Cl ZINC001560982168 1060846126 /nfs/dbraw/zinc/84/61/26/1060846126.db2.gz YPYDYGLRNJWPBR-LLVKDONJSA-N 0 1 316.788 4.346 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1c([O-])ccc(Cl)c1F ZINC001561017032 1060873695 /nfs/dbraw/zinc/87/36/95/1060873695.db2.gz NPFZGYPKKVLDMZ-UHFFFAOYSA-N 0 1 322.811 4.238 20 10 DICDMN Oc1cc(F)c(Cl)cc1CN1CC[C@H]1c1ccc(F)cc1 ZINC001561034882 1060888182 /nfs/dbraw/zinc/88/81/82/1060888182.db2.gz GGOMLPFNUWLDMD-HNNXBMFYSA-N 0 1 309.743 4.271 20 10 DICDMN CC(C)(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC001561052168 1060902165 /nfs/dbraw/zinc/90/21/65/1060902165.db2.gz TYSPGJNPICBXQB-GOSISDBHSA-N 0 1 313.441 4.182 20 10 DICDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC001561052168 1060902178 /nfs/dbraw/zinc/90/21/78/1060902178.db2.gz TYSPGJNPICBXQB-GOSISDBHSA-N 0 1 313.441 4.182 20 10 DICDMN COc1ccc2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC001250687345 1061019330 /nfs/dbraw/zinc/01/93/30/1061019330.db2.gz LXLGEUUUKOTJAT-UHFFFAOYSA-N 0 1 307.397 4.229 20 10 DICDMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001473273005 1061044771 /nfs/dbraw/zinc/04/47/71/1061044771.db2.gz MFSWXPLSAYHLLX-SJKOYZFVSA-N 0 1 307.409 4.135 20 10 DICDMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001473273003 1061044819 /nfs/dbraw/zinc/04/48/19/1061044819.db2.gz MFSWXPLSAYHLLX-SJCJKPOMSA-N 0 1 307.409 4.135 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])c2ccccc2O1 ZINC001462256066 1061058205 /nfs/dbraw/zinc/05/82/05/1061058205.db2.gz AGHNFTUVCKZPLY-IAQYHMDHSA-N 0 1 303.789 4.048 20 10 DICDMN CCc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001462279907 1061074933 /nfs/dbraw/zinc/07/49/33/1061074933.db2.gz DIEBIGOKQXJEQB-OAHLLOKOSA-N 0 1 317.379 4.222 20 10 DICDMN CCc1cccc(CNCc2nc(-c3ccccc3)cs2)c1O ZINC001462304111 1061092101 /nfs/dbraw/zinc/09/21/01/1061092101.db2.gz HYVVAXVENBVJCE-UHFFFAOYSA-N 0 1 324.449 4.368 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001462335291 1061112428 /nfs/dbraw/zinc/11/24/28/1061112428.db2.gz RNUDIOWPMRBFPG-SJLPKXTDSA-N 0 1 317.379 4.439 20 10 DICDMN Oc1c(Cl)cccc1CNCC(F)(F)c1cccc(F)c1 ZINC001462418719 1061162627 /nfs/dbraw/zinc/16/26/27/1061162627.db2.gz VIYLXGBFXCYUGJ-UHFFFAOYSA-N 0 1 315.722 4.066 20 10 DICDMN Cc1cc(CN[C@H]2CCc3cccnc32)c(C)n1-c1ccccc1 ZINC001462505593 1061215599 /nfs/dbraw/zinc/21/55/99/1061215599.db2.gz IWPIMWVNVTXTAZ-FQEVSTJZSA-N 0 1 317.436 4.266 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)c1[O-] ZINC001473520614 1061216633 /nfs/dbraw/zinc/21/66/33/1061216633.db2.gz YQNDJTSJLSJJKV-WFASDCNBSA-N 0 1 321.436 4.381 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)c1[O-] ZINC001473520614 1061216657 /nfs/dbraw/zinc/21/66/57/1061216657.db2.gz YQNDJTSJLSJJKV-WFASDCNBSA-N 0 1 321.436 4.381 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC001473520612 1061218681 /nfs/dbraw/zinc/21/86/81/1061218681.db2.gz YQNDJTSJLSJJKV-IUODEOHRSA-N 0 1 321.436 4.381 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC001473520612 1061218700 /nfs/dbraw/zinc/21/87/00/1061218700.db2.gz YQNDJTSJLSJJKV-IUODEOHRSA-N 0 1 321.436 4.381 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001462679052 1061333238 /nfs/dbraw/zinc/33/32/38/1061333238.db2.gz RUFCTYBENMASAP-GOSISDBHSA-N 0 1 317.816 4.009 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001462679052 1061333258 /nfs/dbraw/zinc/33/32/58/1061333258.db2.gz RUFCTYBENMASAP-GOSISDBHSA-N 0 1 317.816 4.009 20 10 DICDMN CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(O)ccc3ccccc32)C1 ZINC001252248712 1061616099 /nfs/dbraw/zinc/61/60/99/1061616099.db2.gz XRCAIIULFWYCKX-HUUCEWRRSA-N 0 1 301.455 4.261 20 10 DICDMN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC001252248712 1061616104 /nfs/dbraw/zinc/61/61/04/1061616104.db2.gz XRCAIIULFWYCKX-HUUCEWRRSA-N 0 1 301.455 4.261 20 10 DICDMN CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC001252248712 1061616113 /nfs/dbraw/zinc/61/61/13/1061616113.db2.gz XRCAIIULFWYCKX-HUUCEWRRSA-N 0 1 301.455 4.261 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)c(Cl)c1 ZINC001474200776 1061753075 /nfs/dbraw/zinc/75/30/75/1061753075.db2.gz RTHLTXAWGBGWFA-UONOGXRCSA-N 0 1 306.208 4.148 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)c(Cl)c1 ZINC001474200774 1061754038 /nfs/dbraw/zinc/75/40/38/1061754038.db2.gz RTHLTXAWGBGWFA-KGLIPLIRSA-N 0 1 306.208 4.148 20 10 DICDMN CN(C)c1cc(F)c(CNCc2ccc3occc3c2)cc1F ZINC001474204311 1061757592 /nfs/dbraw/zinc/75/75/92/1061757592.db2.gz FYEHFRIZCIWLNN-UHFFFAOYSA-N 0 1 316.351 4.067 20 10 DICDMN CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001474320961 1061895679 /nfs/dbraw/zinc/89/56/79/1061895679.db2.gz VJMIOMBRRYHKHE-JKSUJKDBSA-N 0 1 311.853 4.071 20 10 DICDMN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001474320961 1061895698 /nfs/dbraw/zinc/89/56/98/1061895698.db2.gz VJMIOMBRRYHKHE-JKSUJKDBSA-N 0 1 311.853 4.071 20 10 DICDMN CCC1(CC)[C@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])C[C@@H]1OC ZINC001474320958 1061897094 /nfs/dbraw/zinc/89/70/94/1061897094.db2.gz VJMIOMBRRYHKHE-CVEARBPZSA-N 0 1 311.853 4.071 20 10 DICDMN CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])C[C@@H]1OC ZINC001474320958 1061897102 /nfs/dbraw/zinc/89/71/02/1061897102.db2.gz VJMIOMBRRYHKHE-CVEARBPZSA-N 0 1 311.853 4.071 20 10 DICDMN CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001474327257 1061913552 /nfs/dbraw/zinc/91/35/52/1061913552.db2.gz QFAJYUCOWSDQTE-PXNSSMCTSA-N 0 1 313.441 4.181 20 10 DICDMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001474327257 1061913560 /nfs/dbraw/zinc/91/35/60/1061913560.db2.gz QFAJYUCOWSDQTE-PXNSSMCTSA-N 0 1 313.441 4.181 20 10 DICDMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])n1 ZINC001474327462 1061914235 /nfs/dbraw/zinc/91/42/35/1061914235.db2.gz DQSSESGKHGENMU-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])n1 ZINC001474327462 1061914258 /nfs/dbraw/zinc/91/42/58/1061914258.db2.gz DQSSESGKHGENMU-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN CC1(C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccccc1 ZINC001474341116 1061942343 /nfs/dbraw/zinc/94/23/43/1061942343.db2.gz KPEAEOARRPGOOA-KRWDZBQOSA-N 0 1 303.352 4.254 20 10 DICDMN Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474347404 1061951576 /nfs/dbraw/zinc/95/15/76/1061951576.db2.gz QXXVBTPNIDWPLL-INIZCTEOSA-N 0 1 317.379 4.186 20 10 DICDMN C[C@H](C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-])c1ccccc1 ZINC001474346944 1061952220 /nfs/dbraw/zinc/95/22/20/1061952220.db2.gz JDEDFPCHSHSMBG-GFCCVEGCSA-N 0 1 307.796 4.420 20 10 DICDMN Oc1cc(-c2nnc(-c3cccc(Cl)c3)o2)cc(Cl)c1O ZINC001253811921 1061987221 /nfs/dbraw/zinc/98/72/21/1061987221.db2.gz CHAYOAGYXOISKJ-UHFFFAOYSA-N 0 1 323.135 4.122 20 10 DICDMN C[N@@H+](CCCCc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001474375647 1062019360 /nfs/dbraw/zinc/01/93/60/1062019360.db2.gz CAVLELPJYYONJG-UHFFFAOYSA-N 0 1 305.368 4.125 20 10 DICDMN CC(C)c1ocnc1CN(Cc1ccccc1O)C1CCCC1 ZINC001254069899 1062019919 /nfs/dbraw/zinc/01/99/19/1062019919.db2.gz IADKTRWSZDLPQS-UHFFFAOYSA-N 0 1 314.429 4.448 20 10 DICDMN COC1CCC(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC001474386275 1062034326 /nfs/dbraw/zinc/03/43/26/1062034326.db2.gz NIVVTUPPSPHXMJ-UHFFFAOYSA-N 0 1 317.473 4.342 20 10 DICDMN COC1CCC(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC001474386275 1062034344 /nfs/dbraw/zinc/03/43/44/1062034344.db2.gz NIVVTUPPSPHXMJ-UHFFFAOYSA-N 0 1 317.473 4.342 20 10 DICDMN CCc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC001474415025 1062083082 /nfs/dbraw/zinc/08/30/82/1062083082.db2.gz LNWADLAQLZCACC-UHFFFAOYSA-N 0 1 317.379 4.397 20 10 DICDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474420181 1062089911 /nfs/dbraw/zinc/08/99/11/1062089911.db2.gz PBYGGEDDZFREBX-LLVKDONJSA-N 0 1 321.852 4.156 20 10 DICDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474424864 1062099825 /nfs/dbraw/zinc/09/98/25/1062099825.db2.gz RZEBTZNPTXMAMS-LRDDRELGSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474424864 1062099848 /nfs/dbraw/zinc/09/98/48/1062099848.db2.gz RZEBTZNPTXMAMS-LRDDRELGSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474424864 1062099859 /nfs/dbraw/zinc/09/98/59/1062099859.db2.gz RZEBTZNPTXMAMS-LRDDRELGSA-N 0 1 302.805 4.024 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3cc[nH]c32)cc1Cl ZINC001474446731 1062126821 /nfs/dbraw/zinc/12/68/21/1062126821.db2.gz VUIQGYBPDXESNG-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC001459518608 1062178668 /nfs/dbraw/zinc/17/86/68/1062178668.db2.gz VUIRYDRTTGZZNM-IBGZPJMESA-N 0 1 316.395 4.368 20 10 DICDMN CSc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001474506321 1062188959 /nfs/dbraw/zinc/18/89/59/1062188959.db2.gz UCXOTGOQOTUKQC-UHFFFAOYSA-N 0 1 316.470 4.234 20 10 DICDMN C[C@H](c1ccccc1)[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001474515359 1062197886 /nfs/dbraw/zinc/19/78/86/1062197886.db2.gz CYNOSVRAKDALSV-GFCCVEGCSA-N 0 1 303.352 4.396 20 10 DICDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC(C)(C)OC1(C)C ZINC001459553967 1062203943 /nfs/dbraw/zinc/20/39/43/1062203943.db2.gz IJOXPYWFDOZHJL-INIZCTEOSA-N 0 1 305.462 4.198 20 10 DICDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CC(C)(C)OC1(C)C ZINC001459553967 1062203970 /nfs/dbraw/zinc/20/39/70/1062203970.db2.gz IJOXPYWFDOZHJL-INIZCTEOSA-N 0 1 305.462 4.198 20 10 DICDMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC001459583515 1062224743 /nfs/dbraw/zinc/22/47/43/1062224743.db2.gz RVIIHSSQSOAWPU-GOSISDBHSA-N 0 1 307.409 4.136 20 10 DICDMN C[C@@H](COc1ccccc1F)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC001254721285 1062238751 /nfs/dbraw/zinc/23/87/51/1062238751.db2.gz ONGXLOJOEHNHBG-RYUDHWBXSA-N 0 1 323.795 4.303 20 10 DICDMN COC[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2C)c1ccc(C)o1 ZINC001254721952 1062241634 /nfs/dbraw/zinc/24/16/34/1062241634.db2.gz XBRISWFGCYHALY-YUELXQCFSA-N 0 1 315.413 4.128 20 10 DICDMN Oc1cc(F)c(Cl)cc1CNc1cc2c(cn1)CCCC2 ZINC001474546814 1062243976 /nfs/dbraw/zinc/24/39/76/1062243976.db2.gz PVPKGPSKUFKHED-UHFFFAOYSA-N 0 1 306.768 4.071 20 10 DICDMN C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001474561975 1062264175 /nfs/dbraw/zinc/26/41/75/1062264175.db2.gz XVRWCQSCPVNGMI-SECBINFHSA-N 0 1 311.809 4.366 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1Cl ZINC001474586841 1062298071 /nfs/dbraw/zinc/29/80/71/1062298071.db2.gz VRJRQZSDLNBFTK-UHFFFAOYSA-N 0 1 311.853 4.132 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1Cl ZINC001474586841 1062298095 /nfs/dbraw/zinc/29/80/95/1062298095.db2.gz VRJRQZSDLNBFTK-UHFFFAOYSA-N 0 1 311.853 4.132 20 10 DICDMN CN(C)c1cc(F)c(CN2CCC(C3CCC3)CC2)cc1F ZINC001474621859 1062343873 /nfs/dbraw/zinc/34/38/73/1062343873.db2.gz LSWWUKZIJWFADQ-UHFFFAOYSA-N 0 1 308.416 4.043 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630667 1062352598 /nfs/dbraw/zinc/35/25/98/1062352598.db2.gz PSXMJTBVZHRZTC-KBXCAEBGSA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630667 1062352618 /nfs/dbraw/zinc/35/26/18/1062352618.db2.gz PSXMJTBVZHRZTC-KBXCAEBGSA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630667 1062352637 /nfs/dbraw/zinc/35/26/37/1062352637.db2.gz PSXMJTBVZHRZTC-KBXCAEBGSA-N 0 1 323.864 4.135 20 10 DICDMN CCC[C@@H](CC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001468667004 1062372196 /nfs/dbraw/zinc/37/21/96/1062372196.db2.gz DOIMOEGSBXOXQD-SECBINFHSA-N 0 1 304.217 4.142 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c1[O-] ZINC001459790411 1062402561 /nfs/dbraw/zinc/40/25/61/1062402561.db2.gz DNENQBFYKHLYKV-SJORKVTESA-N 0 1 321.436 4.428 20 10 DICDMN Oc1cccc2c1CN(Cc1ccc(-c3ccc(F)cc3)o1)C2 ZINC001474677267 1062408016 /nfs/dbraw/zinc/40/80/16/1062408016.db2.gz ICVRJDYJLKLMDJ-UHFFFAOYSA-N 0 1 309.340 4.307 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1Cl ZINC001474727076 1062450541 /nfs/dbraw/zinc/45/05/41/1062450541.db2.gz WYMXUIWPMMJNPZ-GFCCVEGCSA-N 0 1 317.816 4.140 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccc(F)nc1 ZINC001460026312 1062582046 /nfs/dbraw/zinc/58/20/46/1062582046.db2.gz SPAPOSJRBPKFIZ-CQSZACIVSA-N 0 1 302.393 4.290 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CC2CCC2)c1[O-] ZINC001460488411 1062878586 /nfs/dbraw/zinc/87/85/86/1062878586.db2.gz OMGRLBGHEGNJCH-KRWDZBQOSA-N 0 1 319.420 4.279 20 10 DICDMN CCN1CCCC[C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966048 1063061165 /nfs/dbraw/zinc/06/11/65/1063061165.db2.gz RLIJPOPSYBAXJP-QGZVFWFLSA-N 0 1 322.412 4.074 20 10 DICDMN Oc1cc(F)ccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256987622 1063070569 /nfs/dbraw/zinc/07/05/69/1063070569.db2.gz FXMLCVKEZZOWQJ-UHFFFAOYSA-N 0 1 321.311 4.039 20 10 DICDMN CCN(CC)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC001461063828 1063227783 /nfs/dbraw/zinc/22/77/83/1063227783.db2.gz KVGBJHKCYNNHNS-UHFFFAOYSA-N 0 1 318.848 4.182 20 10 DICDMN CCCC[C@@H](CC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001257413367 1063261017 /nfs/dbraw/zinc/26/10/17/1063261017.db2.gz VDNNFBXSDMWZNO-CYBMUJFWSA-N 0 1 300.240 4.213 20 10 DICDMN CCCOc1ccc(CNCc2cn3cccc(C)c3n2)cc1C ZINC001461232698 1063351982 /nfs/dbraw/zinc/35/19/82/1063351982.db2.gz NMYZXCICLPANDP-UHFFFAOYSA-N 0 1 323.440 4.030 20 10 DICDMN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001461271472 1063380260 /nfs/dbraw/zinc/38/02/60/1063380260.db2.gz BXWAHYWRUBGRQC-ZRUQZJFASA-N 0 1 316.395 4.395 20 10 DICDMN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001461271470 1063381803 /nfs/dbraw/zinc/38/18/03/1063381803.db2.gz BXWAHYWRUBGRQC-ISZGNANSSA-N 0 1 316.395 4.395 20 10 DICDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC001461643908 1063630550 /nfs/dbraw/zinc/63/05/50/1063630550.db2.gz HSTZWCBDGBQJAJ-JKSUJKDBSA-N 0 1 323.864 4.262 20 10 DICDMN Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001461876188 1063767946 /nfs/dbraw/zinc/76/79/46/1063767946.db2.gz 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4.348 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1Cl ZINC001308863014 1066340523 /nfs/dbraw/zinc/34/05/23/1066340523.db2.gz CYSHPIYFKQKFOQ-KSSFIOAISA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1Cl ZINC001308863014 1066340537 /nfs/dbraw/zinc/34/05/37/1066340537.db2.gz CYSHPIYFKQKFOQ-KSSFIOAISA-N 0 1 323.864 4.135 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@H]2CCC3(CCC3)O2)ccc2ccccc21 ZINC001308953239 1066416947 /nfs/dbraw/zinc/41/69/47/1066416947.db2.gz PJQPOQQKMORKAZ-QGZVFWFLSA-N 0 1 311.425 4.127 20 10 DICDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC=CCCC1 ZINC001308974491 1066427771 /nfs/dbraw/zinc/42/77/71/1066427771.db2.gz IMQVLZFDEAVQRJ-CYBMUJFWSA-N 0 1 324.262 4.381 20 10 DICDMN C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000273516560 130131235 /nfs/dbraw/zinc/13/12/35/130131235.db2.gz SNYGZOFNQIZENX-HOCLYGCPSA-N 0 1 311.425 4.298 20 10 DICDMN CC[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(C)cc1O ZINC000285854647 131205956 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/nfs/dbraw/zinc/66/99/92/1042669992.db2.gz WYQLNCNGORWSEP-ZIAGYGMSSA-N 0 1 313.401 4.073 20 10 DICDMN C[C@H](NCc1ccoc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178474616 1043131750 /nfs/dbraw/zinc/13/17/50/1043131750.db2.gz VRCLLYZJYPEMCW-AWEZNQCLSA-N 0 1 302.393 4.260 20 10 DICDMN Cc1ncsc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179427737 1043144557 /nfs/dbraw/zinc/14/45/57/1043144557.db2.gz OILHQIUJMPSFRN-UHFFFAOYSA-N 0 1 317.241 4.096 20 10 DICDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183713963 1043171418 /nfs/dbraw/zinc/17/14/18/1043171418.db2.gz JPPOOLHSUYECDX-JTQLQIEISA-N 0 1 311.212 4.287 20 10 DICDMN COc1cc(C)cc(CNC2(c3ccccc3Cl)CC2)c1O ZINC000895076470 1043199381 /nfs/dbraw/zinc/19/93/81/1043199381.db2.gz QRJBXQQVDZDYAL-UHFFFAOYSA-N 0 1 317.816 4.142 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(Cl)ccc1[O-] ZINC000186009170 1043212681 /nfs/dbraw/zinc/21/26/81/1043212681.db2.gz LXEVBYWFHJVBPL-BMIGLBTASA-N 0 1 321.779 4.359 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(Cl)ccc1[O-] ZINC000186128971 1043215327 /nfs/dbraw/zinc/21/53/27/1043215327.db2.gz PWICMWLACAJEQN-GXTWGEPZSA-N 0 1 309.837 4.188 20 10 DICDMN COc1cc(F)cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000186216475 1043216301 /nfs/dbraw/zinc/21/63/01/1043216301.db2.gz OCNXTCOBAXGNMX-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN CCOCCC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000186155429 1043216527 /nfs/dbraw/zinc/21/65/27/1043216527.db2.gz OCDRLHCIOLVJST-OAHLLOKOSA-N 0 1 313.441 4.403 20 10 DICDMN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc2ccccc2c1[O-] ZINC000121991655 1043273258 /nfs/dbraw/zinc/27/32/58/1043273258.db2.gz IVVKIAVJRFWVMX-SCLBCKFNSA-N 0 1 301.455 4.482 20 10 DICDMN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000122670024 1043320579 /nfs/dbraw/zinc/32/05/79/1043320579.db2.gz BKTHICJJRCHRQS-CQSZACIVSA-N 0 1 316.420 4.060 20 10 DICDMN CCCOc1ccc(CN[C@H](C)c2cnc(C)s2)cc1C ZINC000873150873 1043519112 /nfs/dbraw/zinc/51/91/12/1043519112.db2.gz RIXVSQWYLVKDBW-CYBMUJFWSA-N 0 1 304.459 4.400 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000124408691 1043522456 /nfs/dbraw/zinc/52/24/56/1043522456.db2.gz RDJVBSXIWNCJKI-QWHCGFSZSA-N 0 1 304.384 4.443 20 10 DICDMN C[C@@H](NCc1ccco1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550975 1043596904 /nfs/dbraw/zinc/59/69/04/1043596904.db2.gz NRAMWDUZZFTLKC-CQSZACIVSA-N 0 1 302.393 4.260 20 10 DICDMN C[C@H](NCc1nc2c(s1)CCCC2)c1cc(Cl)ccc1O ZINC000926921573 1043657967 /nfs/dbraw/zinc/65/79/67/1043657967.db2.gz VPPXHLQRNCNMKJ-JTQLQIEISA-N 0 1 322.861 4.232 20 10 DICDMN C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(Cl)ccc1[O-] ZINC000926921573 1043657977 /nfs/dbraw/zinc/65/79/77/1043657977.db2.gz VPPXHLQRNCNMKJ-JTQLQIEISA-N 0 1 322.861 4.232 20 10 DICDMN CCc1onc(C)c1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000927135767 1043696416 /nfs/dbraw/zinc/69/64/16/1043696416.db2.gz UOLDADUBOPCDLT-GFCCVEGCSA-N 0 1 310.397 4.255 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)n1 ZINC000127010242 1043799280 /nfs/dbraw/zinc/79/92/80/1043799280.db2.gz ZTVYTMLYWDDYPM-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)n1 ZINC000127010242 1043799290 /nfs/dbraw/zinc/79/92/90/1043799290.db2.gz ZTVYTMLYWDDYPM-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@@H](C)NCc2c(F)cc(F)c(F)c2F)c(O)c1 ZINC000281127693 1044099721 /nfs/dbraw/zinc/09/97/21/1044099721.db2.gz NCOQECDLIFDXRB-SECBINFHSA-N 0 1 313.294 4.108 20 10 DICDMN CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000778119713 1044158736 /nfs/dbraw/zinc/15/87/36/1044158736.db2.gz XWBGVTRLWVCJIU-SUMWQHHRSA-N 0 1 311.853 4.119 20 10 DICDMN COc1ccc(C2CC2)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000883258213 1044247847 /nfs/dbraw/zinc/24/78/47/1044247847.db2.gz UJYYCJVCVPEERQ-UHFFFAOYSA-N 0 1 317.816 4.221 20 10 DICDMN C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc2ccccc2c1[O-] ZINC000192914141 1044403143 /nfs/dbraw/zinc/40/31/43/1044403143.db2.gz AGFJHTHISHINMR-RDTXWAMCSA-N 0 1 324.424 4.092 20 10 DICDMN CC[C@H](NCc1ccc(N(C)C)c(C)c1)c1nc(C)cs1 ZINC000294373445 1044413395 /nfs/dbraw/zinc/41/33/95/1044413395.db2.gz BCTYGOOBYSNEGL-HNNXBMFYSA-N 0 1 303.475 4.067 20 10 DICDMN Cc1cc(C)c([C@H](C)NCc2nc(C(C)C)cs2)c(O)c1 ZINC000294870497 1044468128 /nfs/dbraw/zinc/46/81/28/1044468128.db2.gz UGWRXNQDAUTEIQ-ZDUSSCGKSA-N 0 1 304.459 4.440 20 10 DICDMN Oc1cccc2c1CN(Cc1ccc3cccc(Cl)c3n1)CC2 ZINC001137228299 1044633353 /nfs/dbraw/zinc/63/33/53/1044633353.db2.gz MYTBUMQONWFPGF-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(Cl)ccc1[O-] ZINC000886684802 1044679070 /nfs/dbraw/zinc/67/90/70/1044679070.db2.gz SRDCSSIMGLMGHX-CQSZACIVSA-N 0 1 306.793 4.152 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc2ccccc2c1[O-] ZINC000156318204 1044789895 /nfs/dbraw/zinc/78/98/95/1044789895.db2.gz HZFQHYAWYQNPHN-ZFWWWQNUSA-N 0 1 301.455 4.482 20 10 DICDMN C[N@H+](Cc1ccc(Cl)s1)Cc1c([O-])ccc2ccncc21 ZINC000021969844 1044857716 /nfs/dbraw/zinc/85/77/16/1044857716.db2.gz XZMRAUBSPOMSGZ-UHFFFAOYSA-N 0 1 318.829 4.287 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)s1)Cc1c([O-])ccc2ccncc21 ZINC000021969844 1044857733 /nfs/dbraw/zinc/85/77/33/1044857733.db2.gz XZMRAUBSPOMSGZ-UHFFFAOYSA-N 0 1 318.829 4.287 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000152401521 1045041003 /nfs/dbraw/zinc/04/10/03/1045041003.db2.gz OWOHQNNOIFVZAW-SJORKVTESA-N 0 1 309.457 4.484 20 10 DICDMN C[N@@H+](Cc1csc2ccccc12)Cc1cc(F)ccc1O ZINC000778996517 1045110997 /nfs/dbraw/zinc/11/09/97/1045110997.db2.gz TXEATAHVKXKGBM-UHFFFAOYSA-N 0 1 301.386 4.378 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1nc2ccccc2o1 ZINC000777504792 1045158555 /nfs/dbraw/zinc/15/85/55/1045158555.db2.gz HFZJDLPWKIHYTR-UHFFFAOYSA-N 0 1 309.152 4.452 20 10 DICDMN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000779044519 1045199255 /nfs/dbraw/zinc/19/92/55/1045199255.db2.gz XENMDLPGPKQCDX-QGZVFWFLSA-N 0 1 304.384 4.272 20 10 DICDMN COCCC1CC[NH+]([C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000527933124 1045287182 /nfs/dbraw/zinc/28/71/82/1045287182.db2.gz HQZNBXAIIFTXSX-OAHLLOKOSA-N 0 1 313.441 4.355 20 10 DICDMN CCN(CC)c1ccc(CNCc2cc(C)cc(Cl)n2)cc1 ZINC000800283398 1045603959 /nfs/dbraw/zinc/60/39/59/1045603959.db2.gz PEUGILAAKRSVJS-UHFFFAOYSA-N 0 1 317.864 4.179 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000800494528 1045632188 /nfs/dbraw/zinc/63/21/88/1045632188.db2.gz XETVRVPVUXPUMG-WZRBSPASSA-N 0 1 313.363 4.495 20 10 DICDMN C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1cc(Cl)ccc1[O-] ZINC000800501445 1045634831 /nfs/dbraw/zinc/63/48/31/1045634831.db2.gz QDAKAFRJPKSQFR-GFCCVEGCSA-N 0 1 314.816 4.420 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000800498483 1045635695 /nfs/dbraw/zinc/63/56/95/1045635695.db2.gz LCOLAJUTHTUITC-WBVHZDCISA-N 0 1 323.864 4.436 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000800857196 1045659707 /nfs/dbraw/zinc/65/97/07/1045659707.db2.gz IRNWQNSUNFWHQY-HXUWFJFHSA-N 0 1 322.383 4.011 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000800857196 1045659711 /nfs/dbraw/zinc/65/97/11/1045659711.db2.gz IRNWQNSUNFWHQY-HXUWFJFHSA-N 0 1 322.383 4.011 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000753108851 1045725955 /nfs/dbraw/zinc/72/59/55/1045725955.db2.gz KDXDTIPUZAEDLR-UHFFFAOYSA-N 0 1 324.346 4.105 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000753108851 1045725969 /nfs/dbraw/zinc/72/59/69/1045725969.db2.gz KDXDTIPUZAEDLR-UHFFFAOYSA-N 0 1 324.346 4.105 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C)s2)c1[O-] ZINC000754677832 1045910772 /nfs/dbraw/zinc/91/07/72/1045910772.db2.gz XEDYXFBVJKKVNP-JTQLQIEISA-N 0 1 323.845 4.469 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000192936314 1045955364 /nfs/dbraw/zinc/95/53/64/1045955364.db2.gz UMGWSOGFZIZQPL-OAHLLOKOSA-N 0 1 320.436 4.462 20 10 DICDMN CN(C)c1ccc(CNC2(c3ccccc3Cl)CC2)cc1 ZINC000829484738 1045980968 /nfs/dbraw/zinc/98/09/68/1045980968.db2.gz XKUXKKJPKYDYKY-UHFFFAOYSA-N 0 1 300.833 4.185 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902728408 1046050975 /nfs/dbraw/zinc/05/09/75/1046050975.db2.gz SHLMHIFYFRGHDW-LBPRGKRZSA-N 0 1 323.362 4.017 20 10 DICDMN C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000756342965 1046068186 /nfs/dbraw/zinc/06/81/86/1046068186.db2.gz MACYQQSHEBVDSJ-LBPRGKRZSA-N 0 1 314.816 4.420 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000756474406 1046086061 /nfs/dbraw/zinc/08/60/61/1046086061.db2.gz IGGZZWMLVIQLRW-NEPJUHHUSA-N 0 1 310.235 4.162 20 10 DICDMN CCOc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756454238 1046084176 /nfs/dbraw/zinc/08/41/76/1046084176.db2.gz BPBXVRONJUYOJV-LBPRGKRZSA-N 0 1 305.805 4.295 20 10 DICDMN Cc1ccc([C@@H](C)NCc2ccn(-c3ccccc3)n2)c(O)c1C ZINC000756491076 1046088314 /nfs/dbraw/zinc/08/83/14/1046088314.db2.gz SLZRMGYBBUWVII-MRXNPFEDSA-N 0 1 321.424 4.046 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756554273 1046098456 /nfs/dbraw/zinc/09/84/56/1046098456.db2.gz ORIJQTBEPUZFBH-CHWSQXEVSA-N 0 1 317.816 4.263 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001138128312 1046101674 /nfs/dbraw/zinc/10/16/74/1046101674.db2.gz CHAPERVEPQPKRQ-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000756572554 1046102964 /nfs/dbraw/zinc/10/29/64/1046102964.db2.gz GPHVHWBQWUOETD-NWDGAFQWSA-N 0 1 307.825 4.235 20 10 DICDMN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756581200 1046103241 /nfs/dbraw/zinc/10/32/41/1046103241.db2.gz AZYWGWRZZGPYSO-CYBMUJFWSA-N 0 1 318.848 4.271 20 10 DICDMN C[C@@H]([NH2+]CCCNc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756590029 1046104846 /nfs/dbraw/zinc/10/48/46/1046104846.db2.gz NPQXVXYOFXXFFE-CYBMUJFWSA-N 0 1 304.821 4.198 20 10 DICDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cccc(F)c1[O-] ZINC001138131040 1046106126 /nfs/dbraw/zinc/10/61/26/1046106126.db2.gz NXIRUOVRXANIGP-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001138128313 1046106250 /nfs/dbraw/zinc/10/62/50/1046106250.db2.gz CHAPERVEPQPKRQ-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000756603769 1046108836 /nfs/dbraw/zinc/10/88/36/1046108836.db2.gz KTNYEGSPPOUFFL-FOIQADDNSA-N 0 1 321.420 4.320 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000756628499 1046112361 /nfs/dbraw/zinc/11/23/61/1046112361.db2.gz MRVJCHLUDVKMDY-KUHUBIRLSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756632984 1046114327 /nfs/dbraw/zinc/11/43/27/1046114327.db2.gz GJSQJJXJNLMZQC-GJZGRUSLSA-N 0 1 306.409 4.222 20 10 DICDMN Cc1ccc([C@@H](C)NCc2nc(C(C)C)cs2)c(O)c1C ZINC000756658247 1046118381 /nfs/dbraw/zinc/11/83/81/1046118381.db2.gz IIRZMPPOPIFIJL-CYBMUJFWSA-N 0 1 304.459 4.440 20 10 DICDMN CCC1(O)CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000756675431 1046120531 /nfs/dbraw/zinc/12/05/31/1046120531.db2.gz GJKNUDJLKXMWLS-PCVOSPCESA-N 0 1 313.441 4.280 20 10 DICDMN Cc1ncc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])s1 ZINC000756762083 1046128396 /nfs/dbraw/zinc/12/83/96/1046128396.db2.gz SQTVZTILTPNGQO-LBPRGKRZSA-N 0 1 312.438 4.204 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc2ccccc2c1[O-] ZINC000756759532 1046128456 /nfs/dbraw/zinc/12/84/56/1046128456.db2.gz MFVNBPSQNNEGMX-AWEZNQCLSA-N 0 1 319.404 4.426 20 10 DICDMN C[C@@H](c1ccccc1)N(Cc1ccno1)Cc1ccccc1O ZINC000757273792 1046173016 /nfs/dbraw/zinc/17/30/16/1046173016.db2.gz GFKQRSDMLVFNJO-HNNXBMFYSA-N 0 1 308.381 4.144 20 10 DICDMN C[C@H](Nc1cccc2cc[nH+]cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757612947 1046192734 /nfs/dbraw/zinc/19/27/34/1046192734.db2.gz WMVSLFAHOARWEX-NSHDSACASA-N 0 1 309.325 4.022 20 10 DICDMN Cc1ccc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)c(O)c1C ZINC000757612262 1046192781 /nfs/dbraw/zinc/19/27/81/1046192781.db2.gz JPAODHXDLQRYDK-AWEZNQCLSA-N 0 1 316.420 4.383 20 10 DICDMN Cc1ccc([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c(O)c1C ZINC000757663095 1046199336 /nfs/dbraw/zinc/19/93/36/1046199336.db2.gz HTBFDRFMYWMKTH-IAQYHMDHSA-N 0 1 319.351 4.072 20 10 DICDMN COC1CCC(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000757680211 1046201329 /nfs/dbraw/zinc/20/13/29/1046201329.db2.gz NORZWPARCONTGY-OPFPJEHXSA-N 0 1 311.853 4.292 20 10 DICDMN C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc2ccccc2c1[O-] ZINC000903284042 1046222784 /nfs/dbraw/zinc/22/27/84/1046222784.db2.gz VBOGWKOFMRETAA-VNCCEEBVSA-N 0 1 311.425 4.154 20 10 DICDMN CC[C@H](N[C@H](c1ncccn1)C1CC1)c1cc(Cl)ccc1O ZINC000903325509 1046240232 /nfs/dbraw/zinc/24/02/32/1046240232.db2.gz IECOXSZCNZXUGR-HOCLYGCPSA-N 0 1 317.820 4.028 20 10 DICDMN CCN(CC)c1ccc(CN[C@H](C)c2cnc(C)s2)cc1F ZINC000090409037 1046365547 /nfs/dbraw/zinc/36/55/47/1046365547.db2.gz LJUKUHCZAOJRBV-GFCCVEGCSA-N 0 1 321.465 4.288 20 10 DICDMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000780793433 1046407025 /nfs/dbraw/zinc/40/70/25/1046407025.db2.gz NPFKZNQKRRQSDD-DGCLKSJQSA-N 0 1 318.358 4.055 20 10 DICDMN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccccn2)cc1F ZINC000780894093 1046409930 /nfs/dbraw/zinc/40/99/30/1046409930.db2.gz WXFORTWLNFMXAL-HNNXBMFYSA-N 0 1 315.436 4.260 20 10 DICDMN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2nc(C)cs2)cc1 ZINC000246861768 1046432318 /nfs/dbraw/zinc/43/23/18/1046432318.db2.gz CBYWZVPCEITVFM-ZIAGYGMSSA-N 0 1 303.475 4.319 20 10 DICDMN CCN(Cc1ccccc1O)Cc1cc(OC)ccc1Cl ZINC001137265550 1046440950 /nfs/dbraw/zinc/44/09/50/1046440950.db2.gz LKYGZYZSKZSYDB-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686038 1046498559 /nfs/dbraw/zinc/49/85/59/1046498559.db2.gz KVGRCLNUCXICRB-QGZVFWFLSA-N 0 1 303.352 4.180 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001139686359 1046499135 /nfs/dbraw/zinc/49/91/35/1046499135.db2.gz VYRYFYSRAPGYFB-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001139683974 1046499228 /nfs/dbraw/zinc/49/92/28/1046499228.db2.gz FZUOVXZOIHFOBU-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001139689655 1046499245 /nfs/dbraw/zinc/49/92/45/1046499245.db2.gz JHBFWATYRODHEK-CQSZACIVSA-N 0 1 321.342 4.017 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001139683965 1046499763 /nfs/dbraw/zinc/49/97/63/1046499763.db2.gz FZUOVXZOIHFOBU-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683046 1046500022 /nfs/dbraw/zinc/50/00/22/1046500022.db2.gz FOUPJCHQUXSGCG-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN C[C@@H](NCc1cc(F)ccc1Cl)c1ccc(N(C)C)cc1 ZINC000782543241 1046535213 /nfs/dbraw/zinc/53/52/13/1046535213.db2.gz GSJIOWHXNOSZQI-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC001140055320 1046577891 /nfs/dbraw/zinc/57/78/91/1046577891.db2.gz RDNJKFHUXBSJQF-GOSISDBHSA-N 0 1 315.388 4.267 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001140059170 1046579304 /nfs/dbraw/zinc/57/93/04/1046579304.db2.gz WXFVSUJJTWDDLZ-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN C[C@H]1CC[C@H]([N@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC001140102816 1046588661 /nfs/dbraw/zinc/58/86/61/1046588661.db2.gz ZVCNLERORXZVHR-HAQNSBGRSA-N 0 1 312.251 4.165 20 10 DICDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2c([O-])cccc2Br)CC1 ZINC001140102816 1046588676 /nfs/dbraw/zinc/58/86/76/1046588676.db2.gz ZVCNLERORXZVHR-HAQNSBGRSA-N 0 1 312.251 4.165 20 10 DICDMN Cc1ccc(O)c(CN(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000093015578 1046601152 /nfs/dbraw/zinc/60/11/52/1046601152.db2.gz FTJVDSRZXNGICS-UHFFFAOYSA-N 0 1 323.392 4.202 20 10 DICDMN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746839 1046607946 /nfs/dbraw/zinc/60/79/46/1046607946.db2.gz LOPVZAYMXYFYDX-NEPJUHHUSA-N 0 1 305.805 4.466 20 10 DICDMN COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841750712 1046616969 /nfs/dbraw/zinc/61/69/69/1046616969.db2.gz INVBQZOXDQQEEG-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ncccc1Cl ZINC000795806246 1046679082 /nfs/dbraw/zinc/67/90/82/1046679082.db2.gz QJSOOKASYHTMDZ-UHFFFAOYSA-N 0 1 303.576 4.360 20 10 DICDMN COc1ccccc1[C@H](C)N(C)Cc1c(O)cccc1Cl ZINC001140341213 1046666621 /nfs/dbraw/zinc/66/66/21/1046666621.db2.gz DJCNYJYMBGIQDH-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001140344020 1046667518 /nfs/dbraw/zinc/66/75/18/1046667518.db2.gz DMPYYKFJKAWFIT-OAHLLOKOSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001140344020 1046667525 /nfs/dbraw/zinc/66/75/25/1046667525.db2.gz DMPYYKFJKAWFIT-OAHLLOKOSA-N 0 1 317.816 4.089 20 10 DICDMN COc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)c1 ZINC001140341595 1046668869 /nfs/dbraw/zinc/66/88/69/1046668869.db2.gz YLJVRZMUZZBLJC-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)c1 ZINC001140341595 1046668871 /nfs/dbraw/zinc/66/88/71/1046668871.db2.gz YLJVRZMUZZBLJC-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN C[C@H]([NH2+]CCCC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000834818414 1046675844 /nfs/dbraw/zinc/67/58/44/1046675844.db2.gz LHXKTDHSMPRQEU-HNNXBMFYSA-N 0 1 313.441 4.403 20 10 DICDMN CC[C@@H]([NH2+]CCCC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834818552 1046676429 /nfs/dbraw/zinc/67/64/29/1046676429.db2.gz NEBTYXGSNKHLPP-MRXNPFEDSA-N 0 1 311.853 4.293 20 10 DICDMN CC[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834882268 1046696593 /nfs/dbraw/zinc/69/65/93/1046696593.db2.gz IFVYJXKNNGHSSV-XJKSGUPXSA-N 0 1 323.864 4.436 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000834883525 1046697442 /nfs/dbraw/zinc/69/74/42/1046697442.db2.gz QPCOOWZFKVHBPD-VNHYZAJKSA-N 0 1 319.420 4.019 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834883952 1046698560 /nfs/dbraw/zinc/69/85/60/1046698560.db2.gz VHDGSCYNESNFKI-STQMWFEESA-N 0 1 309.837 4.046 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1cc(Cl)ccc1[O-] ZINC000834894915 1046703959 /nfs/dbraw/zinc/70/39/59/1046703959.db2.gz MZEIYJPMINWMEX-BXUZGUMPSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@@H](N[C@H](C)c1nccn1CC)c1cc(Cl)ccc1O ZINC000834894915 1046703971 /nfs/dbraw/zinc/70/39/71/1046703971.db2.gz MZEIYJPMINWMEX-BXUZGUMPSA-N 0 1 307.825 4.064 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cc1O ZINC001140464441 1046736430 /nfs/dbraw/zinc/73/64/30/1046736430.db2.gz PYXNYENLRLVLCN-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140464441 1046736444 /nfs/dbraw/zinc/73/64/44/1046736444.db2.gz PYXNYENLRLVLCN-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140464441 1046736458 /nfs/dbraw/zinc/73/64/58/1046736458.db2.gz PYXNYENLRLVLCN-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001140466627 1046739230 /nfs/dbraw/zinc/73/92/30/1046739230.db2.gz INSUKAPFFJZBHK-KRWDZBQOSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001140466627 1046739245 /nfs/dbraw/zinc/73/92/45/1046739245.db2.gz INSUKAPFFJZBHK-KRWDZBQOSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001140583904 1046792384 /nfs/dbraw/zinc/79/23/84/1046792384.db2.gz XZOCLMSRQJEYRN-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140580789 1046792994 /nfs/dbraw/zinc/79/29/94/1046792994.db2.gz FOWFDFMWUBXOSR-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001140585447 1046795091 /nfs/dbraw/zinc/79/50/91/1046795091.db2.gz IZFAQZIAUQZKMZ-UHFFFAOYSA-N 0 1 303.352 4.225 20 10 DICDMN C[N@@H+](Cc1c([O-])cc(F)cc1F)C(C)(C)Cc1ccccc1 ZINC001140584341 1046795375 /nfs/dbraw/zinc/79/53/75/1046795375.db2.gz NUIYNELNOABEDH-UHFFFAOYSA-N 0 1 305.368 4.124 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001140584940 1046795560 /nfs/dbraw/zinc/79/55/60/1046795560.db2.gz KYJWEYNIVDYYKF-OAHLLOKOSA-N 0 1 321.342 4.017 20 10 DICDMN Cc1ccc(O)c(CN2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC001140622827 1046815266 /nfs/dbraw/zinc/81/52/66/1046815266.db2.gz AQUWEARLGVAFIU-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN Oc1cccc2c1CN(Cc1c(Cl)ncc3ccccc31)CC2 ZINC001140725043 1046878762 /nfs/dbraw/zinc/87/87/62/1046878762.db2.gz VIYSIRHWAMMNOA-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN CC[N@@H+](Cc1ccc(C)cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC001140948512 1046957436 /nfs/dbraw/zinc/95/74/36/1046957436.db2.gz KVEBDSCUTXNZPM-MRXNPFEDSA-N 0 1 313.441 4.162 20 10 DICDMN CC[N@@H+](Cc1ccc(C)cc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001140948511 1046958071 /nfs/dbraw/zinc/95/80/71/1046958071.db2.gz KVEBDSCUTXNZPM-INIZCTEOSA-N 0 1 313.441 4.162 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001142509017 1047265984 /nfs/dbraw/zinc/26/59/84/1047265984.db2.gz TZTKKPSUIRSFHF-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142520822 1047291913 /nfs/dbraw/zinc/29/19/13/1047291913.db2.gz PVFSIXZSBDYGHZ-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN CC(C)(COCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000389967027 1047292688 /nfs/dbraw/zinc/29/26/88/1047292688.db2.gz WWFBLALXOKJAAB-UHFFFAOYSA-N 0 1 319.832 4.131 20 10 DICDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527138 1047310410 /nfs/dbraw/zinc/31/04/10/1047310410.db2.gz MAIGCLDIEDAIKI-KRWDZBQOSA-N 0 1 303.352 4.180 20 10 DICDMN C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)CC(F)(F)F ZINC000840874360 1047350396 /nfs/dbraw/zinc/35/03/96/1047350396.db2.gz YPHWBEABRZEPEI-NGZCFLSTSA-N 0 1 305.315 4.258 20 10 DICDMN CC[C@@H]([NH2+]C1CCC(COC)CC1)c1cc(Cl)ccc1[O-] ZINC000840875635 1047351964 /nfs/dbraw/zinc/35/19/64/1047351964.db2.gz HZKXHWVYSDRGNM-LDZOIKDWSA-N 0 1 311.853 4.292 20 10 DICDMN C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccnc2)c2c1c(F)ccc2[O-] ZINC000840890569 1047355647 /nfs/dbraw/zinc/35/56/47/1047355647.db2.gz ATPJWKYBAVPPJQ-SWLSCSKDSA-N 0 1 314.404 4.042 20 10 DICDMN Cc1csc([C@H](C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840939231 1047363412 /nfs/dbraw/zinc/36/34/12/1047363412.db2.gz KKUFVVMLHCQITO-SNVBAGLBSA-N 0 1 310.850 4.012 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000840954399 1047363437 /nfs/dbraw/zinc/36/34/37/1047363437.db2.gz IGEZEYORFHAVOW-UHFFFAOYSA-N 0 1 315.841 4.046 20 10 DICDMN COCCCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000841690871 1047442320 /nfs/dbraw/zinc/44/23/20/1047442320.db2.gz NIDKPNVSHPBSEP-UHFFFAOYSA-N 0 1 313.397 4.150 20 10 DICDMN COCCCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000841690871 1047442330 /nfs/dbraw/zinc/44/23/30/1047442330.db2.gz NIDKPNVSHPBSEP-UHFFFAOYSA-N 0 1 313.397 4.150 20 10 DICDMN C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743651 1047446785 /nfs/dbraw/zinc/44/67/85/1047446785.db2.gz JDSQLVUAKXYRLX-SMDDNHRTSA-N 0 1 324.877 4.061 20 10 DICDMN COCc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841745498 1047448179 /nfs/dbraw/zinc/44/81/79/1047448179.db2.gz YZDUZFJZRPBWRQ-GFCCVEGCSA-N 0 1 305.805 4.043 20 10 DICDMN C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1O ZINC000841748587 1047448577 /nfs/dbraw/zinc/44/85/77/1047448577.db2.gz AWQNZUFOCRYEDE-CYBMUJFWSA-N 0 1 322.880 4.103 20 10 DICDMN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744190 1047448594 /nfs/dbraw/zinc/44/85/94/1047448594.db2.gz MSJBCFCDSKSZKP-VXGBXAGGSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748206 1047448620 /nfs/dbraw/zinc/44/86/20/1047448620.db2.gz IICPRGQOJHJGBA-DIFFPNOSSA-N 0 1 302.805 4.243 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c(F)c1 ZINC000841748140 1047448631 /nfs/dbraw/zinc/44/86/31/1047448631.db2.gz HLWJAMGWVYPPCM-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841747657 1047448833 /nfs/dbraw/zinc/44/88/33/1047448833.db2.gz GYHVCUYOXVZUIY-WBMJQRKESA-N 0 1 305.805 4.084 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841750241 1047449840 /nfs/dbraw/zinc/44/98/40/1047449840.db2.gz WEPOQWRZRHZPCZ-KZULUSFZSA-N 0 1 317.816 4.010 20 10 DICDMN CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841748909 1047450367 /nfs/dbraw/zinc/45/03/67/1047450367.db2.gz BVWLECJJSFZAKP-IAQYHMDHSA-N 0 1 323.820 4.239 20 10 DICDMN CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(Cl)cc2O)o1 ZINC000841748909 1047450370 /nfs/dbraw/zinc/45/03/70/1047450370.db2.gz BVWLECJJSFZAKP-IAQYHMDHSA-N 0 1 323.820 4.239 20 10 DICDMN COc1cccc(C2([NH2+][C@@H](C)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000841750522 1047450798 /nfs/dbraw/zinc/45/07/98/1047450798.db2.gz RLAURUWAVQDUKN-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(Cl)cc1O ZINC000841755258 1047451568 /nfs/dbraw/zinc/45/15/68/1047451568.db2.gz YKRYONTYFFCBAJ-NSHDSACASA-N 0 1 322.811 4.419 20 10 DICDMN COCC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccc(C)o1 ZINC000841753831 1047452146 /nfs/dbraw/zinc/45/21/46/1047452146.db2.gz NQZUHZXAWPACLP-IUODEOHRSA-N 0 1 323.820 4.375 20 10 DICDMN CCSc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841751783 1047452214 /nfs/dbraw/zinc/45/22/14/1047452214.db2.gz JNZJEIFJTCFAGH-NSHDSACASA-N 0 1 322.861 4.403 20 10 DICDMN C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(Cl)cc1O ZINC000841757788 1047453128 /nfs/dbraw/zinc/45/31/28/1047453128.db2.gz QEIFDUIUHRVSOK-BDAKNGLRSA-N 0 1 312.747 4.131 20 10 DICDMN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841757287 1047453523 /nfs/dbraw/zinc/45/35/23/1047453523.db2.gz NCLWZBAMKHKDKT-ZJNRKIDTSA-N 0 1 319.832 4.127 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001142508865 1047463949 /nfs/dbraw/zinc/46/39/49/1047463949.db2.gz OJRJIUFOEYFMOW-KRWDZBQOSA-N 0 1 303.352 4.398 20 10 DICDMN C[N@@H+](CCCOc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC001204881091 1047465288 /nfs/dbraw/zinc/46/52/88/1047465288.db2.gz MCLKQJVEDXJLFW-UHFFFAOYSA-N 0 1 323.795 4.086 20 10 DICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142521095 1047465243 /nfs/dbraw/zinc/46/52/43/1047465243.db2.gz XMPVMVMIMHZPRM-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccccc1C1([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000842900052 1047512172 /nfs/dbraw/zinc/51/21/72/1047512172.db2.gz DJNJCLZQAGMKGR-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000927035076 1047764787 /nfs/dbraw/zinc/76/47/87/1047764787.db2.gz ZYUUVIWTHYTHJX-VNHYZAJKSA-N 0 1 301.455 4.480 20 10 DICDMN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(Cl)cc1[O-] ZINC000927064122 1047787926 /nfs/dbraw/zinc/78/79/26/1047787926.db2.gz PANAKLUUWULAPI-NHYWBVRUSA-N 0 1 302.805 4.169 20 10 DICDMN CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1cc(Cl)ccc1[O-] ZINC000927069709 1047795445 /nfs/dbraw/zinc/79/54/45/1047795445.db2.gz MPCMMOVSNXQIFS-NVXWUHKLSA-N 0 1 321.852 4.217 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CC(Cc3ccsc3)C2)cc1Cl ZINC001183053587 1047883945 /nfs/dbraw/zinc/88/39/45/1047883945.db2.gz OQCZUGBXTLWDMT-UHFFFAOYSA-N 0 1 307.846 4.090 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001183363242 1047918853 /nfs/dbraw/zinc/91/88/53/1047918853.db2.gz IAFZNARWGNDRNL-UJAVWCLSSA-N 0 1 312.379 4.040 20 10 DICDMN Cc1cc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2F)cc1Cl ZINC001183492686 1047936693 /nfs/dbraw/zinc/93/66/93/1047936693.db2.gz XXRPENYKGLSSOG-WMZOPIPTSA-N 0 1 319.807 4.469 20 10 DICDMN Cc1cc(O)c(CN[C@@H]2c3ccccc3CC[C@H]2F)cc1Cl ZINC001183492684 1047936990 /nfs/dbraw/zinc/93/69/90/1047936990.db2.gz XXRPENYKGLSSOG-SJLPKXTDSA-N 0 1 319.807 4.469 20 10 DICDMN CC1(C)C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCS1 ZINC001184023708 1047989515 /nfs/dbraw/zinc/98/95/15/1047989515.db2.gz PDPBJYZHKXRZHR-HNNXBMFYSA-N 0 1 301.455 4.309 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c(Cl)c1 ZINC001184053520 1047995346 /nfs/dbraw/zinc/99/53/46/1047995346.db2.gz AXNDCSYAGLZLGV-SCGCMHLBSA-N 0 1 305.849 4.222 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c(Cl)c1 ZINC001184053520 1047995358 /nfs/dbraw/zinc/99/53/58/1047995358.db2.gz AXNDCSYAGLZLGV-SCGCMHLBSA-N 0 1 305.849 4.222 20 10 DICDMN CC[C@@H](CC(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160600201 1048069416 /nfs/dbraw/zinc/06/94/16/1048069416.db2.gz RIBMNJHSWIWARP-JTQLQIEISA-N 0 1 318.244 4.388 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(Cl)c1 ZINC001201380571 1048255330 /nfs/dbraw/zinc/25/53/30/1048255330.db2.gz RPAAZOQGBKDZRP-SPYBWZPUSA-N 0 1 313.828 4.030 20 10 DICDMN Cc1ccc(-c2nc(CN[C@@H](C)c3ccccc3O)co2)cc1 ZINC000775135027 1048422484 /nfs/dbraw/zinc/42/24/84/1048422484.db2.gz BURLNMXZLHLADX-AWEZNQCLSA-N 0 1 308.381 4.206 20 10 DICDMN C[C@H](NCc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000850252363 1048628926 /nfs/dbraw/zinc/62/89/26/1048628926.db2.gz QSZAGYNVAVWPKH-NSHDSACASA-N 0 1 308.347 4.021 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccccn1 ZINC000850481326 1048668445 /nfs/dbraw/zinc/66/84/45/1048668445.db2.gz GKIGGLZMKUENJM-GJZGRUSLSA-N 0 1 306.409 4.395 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000850481074 1048669789 /nfs/dbraw/zinc/66/97/89/1048669789.db2.gz HEHBPUGJNUEYOD-ZBFHGGJFSA-N 0 1 312.457 4.069 20 10 DICDMN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850491887 1048671204 /nfs/dbraw/zinc/67/12/04/1048671204.db2.gz BBCZSSGOKFTYBF-HOCLYGCPSA-N 0 1 312.457 4.069 20 10 DICDMN Cc1ccncc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000850505947 1048673211 /nfs/dbraw/zinc/67/32/11/1048673211.db2.gz DPMSNFPGUWIYKH-OAHLLOKOSA-N 0 1 306.409 4.142 20 10 DICDMN CC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850527544 1048680451 /nfs/dbraw/zinc/68/04/51/1048680451.db2.gz GUQCHYDSZQSAHG-JZXOWHBKSA-N 0 1 317.816 4.265 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543542 1048687331 /nfs/dbraw/zinc/68/73/31/1048687331.db2.gz LTNLZIWUMVUJAZ-QLJPJBMISA-N 0 1 303.789 4.089 20 10 DICDMN C[C@H]([NH2+]CCCc1ccco1)c1cc(Br)ccc1[O-] ZINC000850569399 1048695678 /nfs/dbraw/zinc/69/56/78/1048695678.db2.gz CNUWAYJLEHURFG-NSHDSACASA-N 0 1 324.218 4.031 20 10 DICDMN C[C@H]([NH2+]CCC1SCCS1)c1ccc2ccccc2c1[O-] ZINC000850570840 1048698261 /nfs/dbraw/zinc/69/82/61/1048698261.db2.gz MRBXIEZQCHRQEM-LBPRGKRZSA-N 0 1 319.495 4.392 20 10 DICDMN CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000850585522 1048701908 /nfs/dbraw/zinc/70/19/08/1048701908.db2.gz YXQMBXPQORTMNW-IWEFOYFVSA-N 0 1 319.832 4.208 20 10 DICDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000775363143 1048704442 /nfs/dbraw/zinc/70/44/42/1048704442.db2.gz KOLODVDVJSJMHZ-ZDUSSCGKSA-N 0 1 318.848 4.265 20 10 DICDMN CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776498586 1048722888 /nfs/dbraw/zinc/72/28/88/1048722888.db2.gz OQCSGXDNVFCKGJ-APPDUMDISA-N 0 1 323.795 4.051 20 10 DICDMN C[C@]1(F)CCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203573730 1048933584 /nfs/dbraw/zinc/93/35/84/1048933584.db2.gz GKEDEVRTSVJBMQ-AWEZNQCLSA-N 0 1 306.208 4.413 20 10 DICDMN CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC001203586080 1048937965 /nfs/dbraw/zinc/93/79/65/1048937965.db2.gz KCHZLGGLGPQYMD-UHFFFAOYSA-N 0 1 318.244 4.090 20 10 DICDMN COc1ccc(CN(C)[C@H](C)c2ccccc2Cl)c(O)c1 ZINC001203634416 1048943242 /nfs/dbraw/zinc/94/32/42/1048943242.db2.gz DZKITGBFMQTALR-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccc(CN2CCC[C@H]2c2c(F)cccc2F)c(O)c1 ZINC001203634775 1048943471 /nfs/dbraw/zinc/94/34/71/1048943471.db2.gz UUKWTWMIBKWXFO-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN CC(C)N(CC(=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC001203664245 1048954119 /nfs/dbraw/zinc/95/41/19/1048954119.db2.gz SRSDFUZDSDBQPG-UHFFFAOYSA-N 0 1 317.816 4.139 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1nccc2c1CCCC2 ZINC001203664908 1048954154 /nfs/dbraw/zinc/95/41/54/1048954154.db2.gz BVOFOCJOHSWPON-UHFFFAOYSA-N 0 1 319.452 4.050 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854227602 1048955392 /nfs/dbraw/zinc/95/53/92/1048955392.db2.gz WNVKORZBYCANPQ-IRXDYDNUSA-N 0 1 316.832 4.356 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000775491031 1049011968 /nfs/dbraw/zinc/01/19/68/1049011968.db2.gz XYOUWOCMFCCPHP-SJKOYZFVSA-N 0 1 319.832 4.340 20 10 DICDMN COc1ncc(C)cc1NCc1cc(Cl)cc(Cl)c1O ZINC001178263644 1049015905 /nfs/dbraw/zinc/01/59/05/1049015905.db2.gz NJRIHAPLAYAOMY-UHFFFAOYSA-N 0 1 313.184 4.023 20 10 DICDMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000113315417 1049031939 /nfs/dbraw/zinc/03/19/39/1049031939.db2.gz ZFYKTRBXHYZUNI-CQSZACIVSA-N 0 1 316.420 4.060 20 10 DICDMN CCc1nc(CC[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])cs1 ZINC000775499916 1049033222 /nfs/dbraw/zinc/03/32/22/1049033222.db2.gz HBZRHSHWRBUBLE-CQSZACIVSA-N 0 1 324.877 4.348 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)ccc1[O-] ZINC000775499906 1049034714 /nfs/dbraw/zinc/03/47/14/1049034714.db2.gz GXAHIOYKLUUCQQ-MRXNPFEDSA-N 0 1 317.816 4.221 20 10 DICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1F ZINC001203937166 1049036178 /nfs/dbraw/zinc/03/61/78/1049036178.db2.gz OJRPIMLBEJOFGD-UHFFFAOYSA-N 0 1 304.384 4.053 20 10 DICDMN CC[C@H]([NH2+]Cc1c(C)nn(CC)c1C)c1cc(Cl)ccc1[O-] ZINC000775498832 1049037804 /nfs/dbraw/zinc/03/78/04/1049037804.db2.gz OKCZNXUTDAOYJL-INIZCTEOSA-N 0 1 321.852 4.120 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000775498765 1049038593 /nfs/dbraw/zinc/03/85/93/1049038593.db2.gz NSTDNOYXLAITST-SJCJKPOMSA-N 0 1 319.832 4.423 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000775501570 1049040533 /nfs/dbraw/zinc/04/05/33/1049040533.db2.gz IAOLOMQRLUADNZ-CVEARBPZSA-N 0 1 317.816 4.479 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775503915 1049047335 /nfs/dbraw/zinc/04/73/35/1049047335.db2.gz PRQNUSZLJZQDOI-SJLPKXTDSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775509405 1049052955 /nfs/dbraw/zinc/05/29/55/1049052955.db2.gz LREXEUVQOQVAPX-QFYYESIMSA-N 0 1 322.836 4.322 20 10 DICDMN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512452 1049057792 /nfs/dbraw/zinc/05/77/92/1049057792.db2.gz PRNFZSZMDKRQFI-UAGQMJEPSA-N 0 1 311.853 4.028 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccc2c(n1)CCCC2 ZINC001178581670 1049058027 /nfs/dbraw/zinc/05/80/27/1049058027.db2.gz VFVUCWHBRLECEW-UHFFFAOYSA-N 0 1 319.452 4.050 20 10 DICDMN CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514378 1049061994 /nfs/dbraw/zinc/06/19/94/1049061994.db2.gz ZRUVZPQYNSBTQO-HZPDHXFCSA-N 0 1 311.853 4.292 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+](CC(C)C)CC(C)(C)C)c1[O-] ZINC001192224105 1049064814 /nfs/dbraw/zinc/06/48/14/1049064814.db2.gz HLJOZCBMEMYIKW-UHFFFAOYSA-N 0 1 309.425 4.238 20 10 DICDMN Cc1cc2cc(C[NH2+]Cc3c([O-])cc(C)cc3Cl)ccc2[nH]1 ZINC001178654289 1049070001 /nfs/dbraw/zinc/07/00/01/1049070001.db2.gz ITXIWYUJWVZLIX-UHFFFAOYSA-N 0 1 314.816 4.434 20 10 DICDMN CC[C@H]([NH2+]CCCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000775522868 1049081640 /nfs/dbraw/zinc/08/16/40/1049081640.db2.gz COFJIVZKFZNMGM-ZDUSSCGKSA-N 0 1 310.850 4.176 20 10 DICDMN CO[C@](C)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)c1ccccc1 ZINC001178762498 1049085883 /nfs/dbraw/zinc/08/58/83/1049085883.db2.gz MPOLSMHQNDASJK-GOSISDBHSA-N 0 1 319.832 4.005 20 10 DICDMN CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775524978 1049089133 /nfs/dbraw/zinc/08/91/33/1049089133.db2.gz XEPFMVKUQOPFFZ-GOEBONIOSA-N 0 1 313.869 4.129 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000775527035 1049093768 /nfs/dbraw/zinc/09/37/68/1049093768.db2.gz VTLHXHMYZWVUQS-JWZBEHFJSA-N 0 1 321.848 4.044 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1cc(Cl)ccc1[O-] ZINC000775527698 1049096754 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C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000848557795 1054149162 /nfs/dbraw/zinc/14/91/62/1054149162.db2.gz HOERGIOUSRIVDX-GOPGUHFVSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000848558829 1054149387 /nfs/dbraw/zinc/14/93/87/1054149387.db2.gz OBXUNZVUYRIHJF-MZPVMMEZSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000848565348 1054151067 /nfs/dbraw/zinc/15/10/67/1054151067.db2.gz NOXFPGLZDNBCHX-HUUCEWRRSA-N 0 1 306.409 4.222 20 10 DICDMN [O-]c1c(C[N@H+]2CCCC[C@H]2c2ccccc2)ccc(F)c1F ZINC001233074369 1054179382 /nfs/dbraw/zinc/17/93/82/1054179382.db2.gz OQDXIYWJLKILFT-INIZCTEOSA-N 0 1 303.352 4.398 20 10 DICDMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233076241 1054179445 /nfs/dbraw/zinc/17/94/45/1054179445.db2.gz MILWWAWPIIMPTR-INIZCTEOSA-N 0 1 303.352 4.316 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)ccc(F)c1F ZINC001233077587 1054182232 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COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])ccc(F)c2F)cc1 ZINC001233334862 1054239892 /nfs/dbraw/zinc/23/98/92/1054239892.db2.gz XEJUWJBQACTLEJ-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC1(F)F ZINC001233415680 1054265997 /nfs/dbraw/zinc/26/59/97/1054265997.db2.gz FQDDRWSPCKTIQU-JTQLQIEISA-N 0 1 323.305 4.278 20 10 DICDMN C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451652 1054277501 /nfs/dbraw/zinc/27/75/01/1054277501.db2.gz UGUBOXKLPUFJQE-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451652 1054277510 /nfs/dbraw/zinc/27/75/10/1054277510.db2.gz UGUBOXKLPUFJQE-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001233451843 1054277658 /nfs/dbraw/zinc/27/76/58/1054277658.db2.gz BEZYMFHVLBDKMC-UHFFFAOYSA-N 0 1 317.326 4.125 20 10 DICDMN C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cc(Cl)ccc1[O-] ZINC001337800979 1054286638 /nfs/dbraw/zinc/28/66/38/1054286638.db2.gz OWLJXBMSTHEVOJ-ZDUSSCGKSA-N 0 1 323.864 4.436 20 10 DICDMN CC(C)(NCc1ccc(N)cc1)c1ccccc1Br ZINC001337838982 1054290085 /nfs/dbraw/zinc/29/00/85/1054290085.db2.gz XYEDPMZYOMQBJW-UHFFFAOYSA-N 0 1 319.246 4.056 20 10 DICDMN Cc1cccc2c1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233727275 1054346318 /nfs/dbraw/zinc/34/63/18/1054346318.db2.gz LOXDCZKTHKRMBA-UHFFFAOYSA-N 0 1 323.314 4.115 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cccc1OC(F)(F)F ZINC001233761117 1054353229 /nfs/dbraw/zinc/35/32/29/1054353229.db2.gz QBFWVSUVCFCYKA-DGCLKSJQSA-N 0 1 315.335 4.055 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]3CCC[C@H]32)cccc1OC(F)(F)F ZINC001233761117 1054353237 /nfs/dbraw/zinc/35/32/37/1054353237.db2.gz QBFWVSUVCFCYKA-DGCLKSJQSA-N 0 1 315.335 4.055 20 10 DICDMN CC1(C)CN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1cccnc1 ZINC001343799636 1054454057 /nfs/dbraw/zinc/45/40/57/1054454057.db2.gz IPKXVEIOGZKGML-HXUWFJFHSA-N 0 1 321.468 4.265 20 10 DICDMN Cc1csc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185323871 1054524015 /nfs/dbraw/zinc/52/40/15/1054524015.db2.gz ZKZPBADMWKDZJA-CHWSQXEVSA-N 0 1 316.470 4.448 20 10 DICDMN C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc2ccccc2c1[O-] ZINC001346867260 1054551831 /nfs/dbraw/zinc/55/18/31/1054551831.db2.gz HCVBSWGMTKTMPE-BLQFLSLASA-N 0 1 303.352 4.384 20 10 DICDMN CCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H](C)CC ZINC001235056815 1054649054 /nfs/dbraw/zinc/64/90/54/1054649054.db2.gz HLZODCCLSJVVLQ-JTQLQIEISA-N 0 1 318.230 4.304 20 10 DICDMN CCC(CC)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001450719923 1054658593 /nfs/dbraw/zinc/65/85/93/1054658593.db2.gz DUQUMBJLADALPS-VIFPVBQESA-N 0 1 318.244 4.388 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1[O-] ZINC001473365800 1054659062 /nfs/dbraw/zinc/65/90/62/1054659062.db2.gz VCGZRHWIWVSQAW-NSHDSACASA-N 0 1 309.837 4.116 20 10 DICDMN Cc1ccc(O)c([C@H](C)NCc2csc(-c3ccco3)n2)c1 ZINC000185803643 1054665456 /nfs/dbraw/zinc/66/54/56/1054665456.db2.gz HESFHMASJCPEEL-LBPRGKRZSA-N 0 1 314.410 4.268 20 10 DICDMN CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235303588 1054697058 /nfs/dbraw/zinc/69/70/58/1054697058.db2.gz ONRQIRRJCJJEMT-LBPRGKRZSA-N 0 1 316.214 4.058 20 10 DICDMN CN(Cc1nc2ccccc2o1)Cc1ccc(C(C)(C)C)cc1O ZINC001235677166 1054770057 /nfs/dbraw/zinc/77/00/57/1054770057.db2.gz CBNCWHIGHUNQGN-UHFFFAOYSA-N 0 1 324.424 4.463 20 10 DICDMN CC[N@@H+](Cc1ccc2sc(C)nc2c1)Cc1ccccc1O ZINC001235856962 1054821222 /nfs/dbraw/zinc/82/12/22/1054821222.db2.gz GIISGXSJIXVDKX-UHFFFAOYSA-N 0 1 312.438 4.332 20 10 DICDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(C2CCC2)CCC1 ZINC001474565730 1054823939 /nfs/dbraw/zinc/82/39/39/1054823939.db2.gz AWHCQPWKPBKSNK-UHFFFAOYSA-N 0 1 324.262 4.215 20 10 DICDMN Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000186124690 1054955269 /nfs/dbraw/zinc/95/52/69/1054955269.db2.gz UQAUXJJXZDBCFQ-YWZLYKJASA-N 0 1 321.420 4.238 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001236666617 1055222468 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CJOISTSFLITJIK-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])Cc1cccc(F)c1F ZINC001237800814 1055531895 /nfs/dbraw/zinc/53/18/95/1055531895.db2.gz CJOISTSFLITJIK-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001237798680 1055532622 /nfs/dbraw/zinc/53/26/22/1055532622.db2.gz KXHKBSJFJMSLDA-AWEZNQCLSA-N 0 1 319.807 4.249 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC1(F)F ZINC001237935108 1055561597 /nfs/dbraw/zinc/56/15/97/1055561597.db2.gz QKXSNIJIDXKIHW-SECBINFHSA-N 0 1 307.743 4.052 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCC1(F)F ZINC001237935141 1055561765 /nfs/dbraw/zinc/56/17/65/1055561765.db2.gz QKXSNIJIDXKIHW-VIFPVBQESA-N 0 1 307.743 4.052 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237948329 1055562787 /nfs/dbraw/zinc/56/27/87/1055562787.db2.gz CREXTXRIQNLTTK-UHFFFAOYSA-N 0 1 322.811 4.034 20 10 DICDMN Fc1ccccc1-c1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC001620760707 1055931296 /nfs/dbraw/zinc/93/12/96/1055931296.db2.gz OUBVHGRZBAOONG-UHFFFAOYSA-N 0 1 323.367 4.310 20 10 DICDMN CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1cc(F)ccc1O)CCC2 ZINC000765817519 1056178575 /nfs/dbraw/zinc/17/85/75/1056178575.db2.gz LWJKUBQABYKNFI-LRDDRELGSA-N 0 1 317.408 4.037 20 10 DICDMN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1F ZINC001615219646 1056478322 /nfs/dbraw/zinc/47/83/22/1056478322.db2.gz OHLBQSLKODMRNK-UHFFFAOYSA-N 0 1 318.411 4.441 20 10 DICDMN Cc1csc([C@@H](NCc2ccc3c(c2)CCCO3)C2CC2)n1 ZINC000921782026 1056488199 /nfs/dbraw/zinc/48/81/99/1056488199.db2.gz CHVLGEIIZUNANG-KRWDZBQOSA-N 0 1 314.454 4.017 20 10 DICDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715710908 1056539711 /nfs/dbraw/zinc/53/97/11/1056539711.db2.gz ACBMFYDZKJRCMJ-AOOOYVTPSA-N 0 1 316.214 4.057 20 10 DICDMN CCCOc1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1C ZINC000922583615 1057034936 /nfs/dbraw/zinc/03/49/36/1057034936.db2.gz ZBGSROMUPYHZQC-HXUWFJFHSA-N 0 1 310.441 4.420 20 10 DICDMN Cc1ccc(C)n1-c1ccc(-c2ccc3c(C)[nH]nc3c2)cn1 ZINC001241640650 1057120744 /nfs/dbraw/zinc/12/07/44/1057120744.db2.gz SBSNPMZMEBKLGA-UHFFFAOYSA-N 0 1 302.381 4.341 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc2c1CCO2 ZINC000701935411 1057277638 /nfs/dbraw/zinc/27/76/38/1057277638.db2.gz JAPDZBWKTUGCLZ-UHFFFAOYSA-N 0 1 310.180 4.246 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702824038 1057313696 /nfs/dbraw/zinc/31/36/96/1057313696.db2.gz NVXZDFGSWUMTOA-UHFFFAOYSA-N 0 1 310.171 4.320 20 10 DICDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1c([O-])cccc1F ZINC001137839283 1057467779 /nfs/dbraw/zinc/46/77/79/1057467779.db2.gz ZUIKVCNXIMOIEK-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN [O-]c1ccc(Br)cc1C[NH+]1C2CCCC1CCC2 ZINC000707154076 1057490822 /nfs/dbraw/zinc/49/08/22/1057490822.db2.gz CFOXXILIQBRGQP-UHFFFAOYSA-N 0 1 310.235 4.062 20 10 DICDMN Cc1cc(C)cc(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000710481275 1057502293 /nfs/dbraw/zinc/50/22/93/1057502293.db2.gz IJCYBNLZDMKMPM-UHFFFAOYSA-N 0 1 320.230 4.061 20 10 DICDMN Fc1cccc(CNCc2ccc(N3CCCCC3)cc2)c1F ZINC000731450132 1057743733 /nfs/dbraw/zinc/74/37/33/1057743733.db2.gz FLABNLATQABADU-UHFFFAOYSA-N 0 1 316.395 4.245 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000731679084 1057752061 /nfs/dbraw/zinc/75/20/61/1057752061.db2.gz YJOYTMPZZJFBGO-UHFFFAOYSA-N 0 1 305.780 4.221 20 10 DICDMN CN(C)c1ccc(CNc2ccnc3cc(F)ccc32)cc1F ZINC000733300128 1057811151 /nfs/dbraw/zinc/81/11/51/1057811151.db2.gz NNNQUQVZTIRDLG-UHFFFAOYSA-N 0 1 313.351 4.191 20 10 DICDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1F ZINC000733327499 1057813921 /nfs/dbraw/zinc/81/39/21/1057813921.db2.gz SFGTVWRQYXHJHV-UHFFFAOYSA-N 0 1 307.796 4.252 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1cccc(Cl)c1 ZINC000733328655 1057814156 /nfs/dbraw/zinc/81/41/56/1057814156.db2.gz YPWQFXTVNQBCDT-UHFFFAOYSA-N 0 1 310.224 4.421 20 10 DICDMN CC[N@H+](CCC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001559568971 1059398713 /nfs/dbraw/zinc/39/87/13/1059398713.db2.gz LEBPFPCLKJAVLV-UHFFFAOYSA-N 0 1 314.267 4.413 20 10 DICDMN CC[N@@H+](CCC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC001559568971 1059398738 /nfs/dbraw/zinc/39/87/38/1059398738.db2.gz LEBPFPCLKJAVLV-UHFFFAOYSA-N 0 1 314.267 4.413 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1[O-] ZINC001559806739 1059643993 /nfs/dbraw/zinc/64/39/93/1059643993.db2.gz FZECSUHOILKIDG-CQSZACIVSA-N 0 1 309.837 4.259 20 10 DICDMN CC(C)Oc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC001560284230 1060059949 /nfs/dbraw/zinc/05/99/49/1060059949.db2.gz JGGRWSAAYLYSJP-UHFFFAOYSA-N 0 1 311.425 4.089 20 10 DICDMN CN(C)c1ccc(/C=C\CNCc2c(F)cccc2Cl)cc1 ZINC001560297387 1060080395 /nfs/dbraw/zinc/08/03/95/1060080395.db2.gz BNUWWPRPKAAXHU-PLNGDYQASA-N 0 1 318.823 4.348 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC001560359350 1060145726 /nfs/dbraw/zinc/14/57/26/1060145726.db2.gz JDQLEFYLYGHFRG-IUODEOHRSA-N 0 1 324.262 4.213 20 10 DICDMN Cc1cnc(C(C)(C)NCc2c(C)c3ccccc3n2C)s1 ZINC001560370277 1060158224 /nfs/dbraw/zinc/15/82/24/1060158224.db2.gz CGNXTRPIJFOWEZ-UHFFFAOYSA-N 0 1 313.470 4.277 20 10 DICDMN Cc1ccc2c(c1)[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)CC2 ZINC001560521345 1060320343 /nfs/dbraw/zinc/32/03/43/1060320343.db2.gz BSCJYXCFRSGDOA-QGZVFWFLSA-N 0 1 301.817 4.440 20 10 DICDMN CCCOc1ccc(CNCc2cccc(F)c2F)cc1C ZINC001560550446 1060360716 /nfs/dbraw/zinc/36/07/16/1060360716.db2.gz RCAJIEBYPLKZLO-UHFFFAOYSA-N 0 1 305.368 4.352 20 10 DICDMN CCC[C@H](C)CC[NH2+]Cc1c([O-])cccc1Br ZINC001560573462 1060388586 /nfs/dbraw/zinc/38/85/86/1060388586.db2.gz TYLHSIPVRUFZTI-NSHDSACASA-N 0 1 300.240 4.071 20 10 DICDMN CN(C)c1ccc(/C=C/CN[C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC001560568591 1060377999 /nfs/dbraw/zinc/37/79/99/1060377999.db2.gz UBUQZFBLGVZYKS-GFXBWGLESA-N 0 1 324.443 4.381 20 10 DICDMN Cc1ccc2[nH]c(NCc3ccc(N4CCCCC4)cc3)nc2c1 ZINC001560569802 1060382309 /nfs/dbraw/zinc/38/23/09/1060382309.db2.gz JJAWFEYZXRGNHH-UHFFFAOYSA-N 0 1 320.440 4.474 20 10 DICDMN CCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001560635673 1060447835 /nfs/dbraw/zinc/44/78/35/1060447835.db2.gz KNKIVOZCOGYYPQ-UAGQMJEPSA-N 0 1 323.864 4.071 20 10 DICDMN C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001560671464 1060500756 /nfs/dbraw/zinc/50/07/56/1060500756.db2.gz ZOLDKLSXLDRKJB-JTQLQIEISA-N 0 1 323.770 4.443 20 10 DICDMN C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001560671464 1060500762 /nfs/dbraw/zinc/50/07/62/1060500762.db2.gz ZOLDKLSXLDRKJB-JTQLQIEISA-N 0 1 323.770 4.443 20 10 DICDMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001560674777 1060509760 /nfs/dbraw/zinc/50/97/60/1060509760.db2.gz KDAQYDRAJQJZQT-UHFFFAOYSA-N 0 1 323.358 4.264 20 10 DICDMN Cc1ccc(CN(C/C=C/c2ccc(N(C)C)cc2)C2CC2)o1 ZINC001560718575 1060576722 /nfs/dbraw/zinc/57/67/22/1060576722.db2.gz XSISKVIIJPSRCE-SNAWJCMRSA-N 0 1 310.441 4.332 20 10 DICDMN Cc1ccc(CN(C/C=C\c2ccc(N(C)C)cc2)C2CC2)o1 ZINC001560718574 1060576765 /nfs/dbraw/zinc/57/67/65/1060576765.db2.gz XSISKVIIJPSRCE-PLNGDYQASA-N 0 1 310.441 4.332 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001560727467 1060594967 /nfs/dbraw/zinc/59/49/67/1060594967.db2.gz IMPQYNJDXATELR-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1Cl ZINC001560737118 1060606398 /nfs/dbraw/zinc/60/63/98/1060606398.db2.gz SQTWBPCLOVFDJR-HZPDHXFCSA-N 0 1 311.853 4.036 20 10 DICDMN COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccc(F)c1[O-])[C@@H]2C ZINC001560745798 1060612852 /nfs/dbraw/zinc/61/28/52/1060612852.db2.gz AUMIRYTUPCFZPF-QWHCGFSZSA-N 0 1 315.388 4.048 20 10 DICDMN Cc1cccc([C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC001560751278 1060617919 /nfs/dbraw/zinc/61/79/19/1060617919.db2.gz KUZZGFQINQZENI-AWEZNQCLSA-N 0 1 319.807 4.483 20 10 DICDMN C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560821189 1060679112 /nfs/dbraw/zinc/67/91/12/1060679112.db2.gz NSNWLVAIOFYPPT-SJCJKPOMSA-N 0 1 303.352 4.254 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCc2ccccc2CC1 ZINC001560836844 1060693710 /nfs/dbraw/zinc/69/37/10/1060693710.db2.gz WLEMQNPHVSNNQN-UHFFFAOYSA-N 0 1 319.807 4.176 20 10 DICDMN CC(C)Cn1ncc(NCc2ccc(F)c(F)c2O)c1C1CC1 ZINC001560862130 1060721088 /nfs/dbraw/zinc/72/10/88/1060721088.db2.gz GZWKDAPKZRYMMO-UHFFFAOYSA-N 0 1 321.371 4.012 20 10 DICDMN Nc1ccc(N(c2ccccc2)c2ccc3cncn3c2)cc1 ZINC001250331074 1060782871 /nfs/dbraw/zinc/78/28/71/1060782871.db2.gz HPOYMIZAKDPKEN-UHFFFAOYSA-N 0 1 300.365 4.386 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3occc3c2)cc1Cl ZINC001560924083 1060789132 /nfs/dbraw/zinc/78/91/32/1060789132.db2.gz YGNCTNGGKVTFIL-UHFFFAOYSA-N 0 1 301.773 4.390 20 10 DICDMN Oc1ccc(-c2nc3cc(-c4cccs4)ccc3[nH]2)cc1O ZINC001250464844 1060822438 /nfs/dbraw/zinc/82/24/38/1060822438.db2.gz OBXUFMSTPRZAHT-UHFFFAOYSA-N 0 1 308.362 4.370 20 10 DICDMN Cc1cc(F)c(CNCc2cc(Cl)c(C)cc2O)c(F)c1 ZINC001561020034 1060878292 /nfs/dbraw/zinc/87/82/92/1060878292.db2.gz UYNGTAJVWUPWBQ-UHFFFAOYSA-N 0 1 311.759 4.230 20 10 DICDMN Cc1cc(F)cc2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001462153030 1060973285 /nfs/dbraw/zinc/97/32/85/1060973285.db2.gz ZVRURUIFSXKFCI-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN Cc1cc(F)cc2c1CN(Cc1ccc(Cl)cc1O)CC2 ZINC001462153030 1060973297 /nfs/dbraw/zinc/97/32/97/1060973297.db2.gz ZVRURUIFSXKFCI-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN Cc1ccc(CNc2ccc(Cl)c(CN(C)C)c2)c(O)c1 ZINC001462159239 1060983058 /nfs/dbraw/zinc/98/30/58/1060983058.db2.gz UUZPZKGDDODGGT-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001462355456 1061126060 /nfs/dbraw/zinc/12/60/60/1061126060.db2.gz MXTPNQHFMSJUOT-LJQANCHMSA-N 0 1 317.379 4.268 20 10 DICDMN COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC001462392801 1061145623 /nfs/dbraw/zinc/14/56/23/1061145623.db2.gz HIIXVRZIGVHXCV-CHWSQXEVSA-N 0 1 319.832 4.336 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001462515566 1061226954 /nfs/dbraw/zinc/22/69/54/1061226954.db2.gz IHLGSTVBAZUSMA-GOSISDBHSA-N 0 1 321.342 4.131 20 10 DICDMN COc1ccc(C2CC2)c(NCc2ccc(F)c(F)c2O)c1 ZINC001462523879 1061232086 /nfs/dbraw/zinc/23/20/86/1061232086.db2.gz UVMDEMIXGCOFFR-UHFFFAOYSA-N 0 1 305.324 4.169 20 10 DICDMN C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001462560868 1061260807 /nfs/dbraw/zinc/26/08/07/1061260807.db2.gz FQGNTZSMYQCMSR-MRXNPFEDSA-N 0 1 309.331 4.320 20 10 DICDMN C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001462560868 1061260828 /nfs/dbraw/zinc/26/08/28/1061260828.db2.gz FQGNTZSMYQCMSR-MRXNPFEDSA-N 0 1 309.331 4.320 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001462679057 1061333760 /nfs/dbraw/zinc/33/37/60/1061333760.db2.gz RUFCTYBENMASAP-SFHVURJKSA-N 0 1 317.816 4.009 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001462679057 1061333773 /nfs/dbraw/zinc/33/37/73/1061333773.db2.gz RUFCTYBENMASAP-SFHVURJKSA-N 0 1 317.816 4.009 20 10 DICDMN Cc1nc2cc(NCc3c(C)c4ccccc4n3C)ccc2n1C ZINC001474051798 1061600151 /nfs/dbraw/zinc/60/01/51/1061600151.db2.gz MHLRMCFPBXSFFX-UHFFFAOYSA-N 0 1 318.424 4.294 20 10 DICDMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001474316032 1061884787 /nfs/dbraw/zinc/88/47/87/1061884787.db2.gz GETDNUYCAYMTTL-KRWDZBQOSA-N 0 1 305.368 4.500 20 10 DICDMN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001474327261 1061911254 /nfs/dbraw/zinc/91/12/54/1061911254.db2.gz QFAJYUCOWSDQTE-YLJYHZDGSA-N 0 1 313.441 4.181 20 10 DICDMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001474327261 1061911273 /nfs/dbraw/zinc/91/12/73/1061911273.db2.gz QFAJYUCOWSDQTE-YLJYHZDGSA-N 0 1 313.441 4.181 20 10 DICDMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001474355353 1061970881 /nfs/dbraw/zinc/97/08/81/1061970881.db2.gz KTJIOCISNLCYOD-CJNGLKHVSA-N 0 1 301.817 4.424 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1c(F)cccc1OCC ZINC001474368043 1062001222 /nfs/dbraw/zinc/00/12/22/1062001222.db2.gz GBXQERKNPDBZKL-UHFFFAOYSA-N 0 1 317.404 4.342 20 10 DICDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCc2ccccc21 ZINC001474413094 1062075029 /nfs/dbraw/zinc/07/50/29/1062075029.db2.gz UPRBJRZVLNJXBE-INIZCTEOSA-N 0 1 305.780 4.304 20 10 DICDMN CCN(C)c1ccc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC001459346887 1062099695 /nfs/dbraw/zinc/09/96/95/1062099695.db2.gz GDRGPGMVMJFYDD-LAUBAEHRSA-N 0 1 324.468 4.105 20 10 DICDMN CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC001459346885 1062101329 /nfs/dbraw/zinc/10/13/29/1062101329.db2.gz GDRGPGMVMJFYDD-DYESRHJHSA-N 0 1 324.468 4.105 20 10 DICDMN COC[C@@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(C)C ZINC001459467356 1062154346 /nfs/dbraw/zinc/15/43/46/1062154346.db2.gz MENGLOXWFDECDE-QGZVFWFLSA-N 0 1 305.462 4.055 20 10 DICDMN COC[C@@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(C)C ZINC001459467356 1062154357 /nfs/dbraw/zinc/15/43/57/1062154357.db2.gz MENGLOXWFDECDE-QGZVFWFLSA-N 0 1 305.462 4.055 20 10 DICDMN Cc1ccc([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)c(C)c1 ZINC001474495420 1062176853 /nfs/dbraw/zinc/17/68/53/1062176853.db2.gz BEORREXYWXQZAA-AWEZNQCLSA-N 0 1 317.379 4.277 20 10 DICDMN CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001474551430 1062249978 /nfs/dbraw/zinc/24/99/78/1062249978.db2.gz WPCATWWWNRNMPT-HNNXBMFYSA-N 0 1 317.379 4.222 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001474574064 1062283088 /nfs/dbraw/zinc/28/30/88/1062283088.db2.gz PJMVQQWFHLNHDY-DOTOQJQBSA-N 0 1 317.379 4.439 20 10 DICDMN COc1ccc2oc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2c1 ZINC001474608533 1062321899 /nfs/dbraw/zinc/32/18/99/1062321899.db2.gz GIEQIABXNYPZJM-UHFFFAOYSA-N 0 1 317.772 4.090 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC001474608254 1062323217 /nfs/dbraw/zinc/32/32/17/1062323217.db2.gz BQTPRMUBUNXUPI-UHFFFAOYSA-N 0 1 321.751 4.416 20 10 DICDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC001474608811 1062323534 /nfs/dbraw/zinc/32/35/34/1062323534.db2.gz JUYABYCVRZWZFT-HUUCEWRRSA-N 0 1 311.853 4.117 20 10 DICDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC2(CCCC2)O1 ZINC001474614224 1062329354 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CCCCCC1CCC([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001257375167 1063243323 /nfs/dbraw/zinc/24/33/23/1063243323.db2.gz SXXLXCKNNOJJCD-UHFFFAOYSA-N 0 1 319.445 4.009 20 10 DICDMN CN(C)c1ccc(/C=C/CNc2ccc3c(n2)CCCC3)cc1 ZINC001461733686 1063685867 /nfs/dbraw/zinc/68/58/67/1063685867.db2.gz PSHNLBOOHMLECC-AATRIKPKSA-N 0 1 307.441 4.152 20 10 DICDMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001461843894 1063745208 /nfs/dbraw/zinc/74/52/08/1063745208.db2.gz MVHFAZUFQINQAU-NSHDSACASA-N 0 1 305.780 4.304 20 10 DICDMN CCS[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001461854505 1063750933 /nfs/dbraw/zinc/75/09/33/1063750933.db2.gz RIZDBDMJIILCJI-LBPRGKRZSA-N 0 1 317.857 4.292 20 10 DICDMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001461876186 1063767599 /nfs/dbraw/zinc/76/75/99/1063767599.db2.gz VBEXEZOQKLQHJO-CYBMUJFWSA-N 0 1 305.368 4.042 20 10 DICDMN COc1cc(CN2Cc3ccccc3C2)c(O)c(C(C)(C)C)c1 ZINC001461893537 1063780439 /nfs/dbraw/zinc/78/04/39/1063780439.db2.gz 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1 309.862 4.479 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)[C@H](C)Cc2cccs2)cc1Cl ZINC001308594806 1066106996 /nfs/dbraw/zinc/10/69/96/1066106996.db2.gz MHKVLJKXHOLXNK-GFCCVEGCSA-N 0 1 309.862 4.479 20 10 DICDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@@H]21 ZINC001308637665 1066131457 /nfs/dbraw/zinc/13/14/57/1066131457.db2.gz PLYFWTLMQUYJJC-LALPHHSUSA-N 0 1 324.262 4.165 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@@H]21 ZINC001308637665 1066131461 /nfs/dbraw/zinc/13/14/61/1066131461.db2.gz PLYFWTLMQUYJJC-LALPHHSUSA-N 0 1 324.262 4.165 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC001308659137 1066142181 /nfs/dbraw/zinc/14/21/81/1066142181.db2.gz KDAMUXPKSBEGRT-QGZVFWFLSA-N 0 1 301.817 4.253 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC001308659137 1066142184 /nfs/dbraw/zinc/14/21/84/1066142184.db2.gz KDAMUXPKSBEGRT-QGZVFWFLSA-N 0 1 301.817 4.253 20 10 DICDMN COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2O)o1 ZINC001308665299 1066144742 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Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001308698710 1066187794 /nfs/dbraw/zinc/18/77/94/1066187794.db2.gz VTRJRSVAWDPWNS-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001308698710 1066187798 /nfs/dbraw/zinc/18/77/98/1066187798.db2.gz VTRJRSVAWDPWNS-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1Cl ZINC001308710193 1066192998 /nfs/dbraw/zinc/19/29/98/1066192998.db2.gz DAXVVWSOMPRWKT-NVXWUHKLSA-N 0 1 311.853 4.037 20 10 DICDMN CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001308846778 1066323494 /nfs/dbraw/zinc/32/34/94/1066323494.db2.gz VQCSZCHTOWXAMC-QGZVFWFLSA-N 0 1 303.833 4.465 20 10 DICDMN Cc1c(Cl)ccc2c1CN(Cc1cc(F)ccc1O)CC2 ZINC001308908900 1066388341 /nfs/dbraw/zinc/38/83/41/1066388341.db2.gz BUQIWNOQGBOGGO-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000186740141 200001641 /nfs/dbraw/zinc/00/16/41/200001641.db2.gz FBPNUEYFRLTPOG-OLZOCXBDSA-N 0 1 312.438 4.456 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000019899558 182161722 /nfs/dbraw/zinc/16/17/22/182161722.db2.gz JAIXGKFUUNNJIU-OAHLLOKOSA-N 0 1 320.230 4.396 20 10 DICDMN CC[C@H]([NH2+]Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000019899559 182161831 /nfs/dbraw/zinc/16/18/31/182161831.db2.gz JAIXGKFUUNNJIU-HNNXBMFYSA-N 0 1 320.230 4.396 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000271847888 129971890 /nfs/dbraw/zinc/97/18/90/129971890.db2.gz WYQLNCNGORWSEP-UONOGXRCSA-N 0 1 313.401 4.073 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000273621758 130146829 /nfs/dbraw/zinc/14/68/29/130146829.db2.gz ZGNLQHCSTOEAER-ZUZCIYMTSA-N 0 1 303.789 4.089 20 10 DICDMN Cc1cc(C)c([C@@H](C)NCc2nc(C3CC3)cs2)c(O)c1 ZINC000285398549 131164200 /nfs/dbraw/zinc/16/42/00/131164200.db2.gz XBVKHBWNZKUINM-GFCCVEGCSA-N 0 1 302.443 4.194 20 10 DICDMN Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185395980 333208189 /nfs/dbraw/zinc/20/81/89/333208189.db2.gz FWKBYGSGCOWGCB-GFCCVEGCSA-N 0 1 310.397 4.044 20 10 DICDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cn1 ZINC000274943837 334068009 /nfs/dbraw/zinc/06/80/09/334068009.db2.gz UAJPVXYCNUNSQP-CQSZACIVSA-N 0 1 315.848 4.186 20 10 DICDMN COc1ccc(O)c([C@@H](C)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000192791334 336261940 /nfs/dbraw/zinc/26/19/40/336261940.db2.gz UGYPITVEXSZTAB-JLTOFOAXSA-N 0 1 323.392 4.434 20 10 DICDMN C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000375345269 337008448 /nfs/dbraw/zinc/00/84/48/337008448.db2.gz MYKFDLUTNVIZFX-FZKQIMNGSA-N 0 1 314.404 4.066 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000479433403 339534885 /nfs/dbraw/zinc/53/48/85/339534885.db2.gz ARAOUMJYRJKMHD-ZDUSSCGKSA-N 0 1 313.832 4.386 20 10 DICDMN C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc2ccccc2c1[O-] ZINC000273392982 518183646 /nfs/dbraw/zinc/18/36/46/518183646.db2.gz LBXAQLVTQVPMDY-UGSOOPFHSA-N 0 1 321.424 4.007 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(Cl)cn2)cc1 ZINC000182113415 520283974 /nfs/dbraw/zinc/28/39/74/520283974.db2.gz DOYRBKGWPJMIJF-CYBMUJFWSA-N 0 1 303.837 4.042 20 10 DICDMN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716271 525648405 /nfs/dbraw/zinc/64/84/05/525648405.db2.gz ZUWHVLUJTOLMSE-FZKQIMNGSA-N 0 1 314.404 4.066 20 10 DICDMN Cc1csc(C(C)(C)NCc2cc(Cl)cc(C)c2O)n1 ZINC000182214088 526321197 /nfs/dbraw/zinc/32/11/97/526321197.db2.gz HMPDHFYLFMDERN-UHFFFAOYSA-N 0 1 310.850 4.144 20 10 DICDMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001204480448 1036336221 /nfs/dbraw/zinc/33/62/21/1036336221.db2.gz SBDYLIJLZAGKJY-RISCZKNCSA-N 0 1 321.342 4.188 20 10 DICDMN CC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1cc(Cl)ccc1[O-] ZINC000834904455 1037744749 /nfs/dbraw/zinc/74/47/49/1037744749.db2.gz YJZDPHQEOIQPTK-MRXNPFEDSA-N 0 1 304.821 4.298 20 10 DICDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000076275389 1037822492 /nfs/dbraw/zinc/82/24/92/1037822492.db2.gz ITNLDNIOCOBSLH-NSHDSACASA-N 0 1 306.203 4.006 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001140464715 1038128313 /nfs/dbraw/zinc/12/83/13/1038128313.db2.gz AMNKBIIPHCYMTB-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001140464715 1038128320 /nfs/dbraw/zinc/12/83/20/1038128320.db2.gz AMNKBIIPHCYMTB-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN C[C@@]1(F)CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415953 1039412108 /nfs/dbraw/zinc/41/21/08/1039412108.db2.gz PWFXOSRKEMBACA-CQSZACIVSA-N 0 1 305.315 4.125 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000088747605 1039596866 /nfs/dbraw/zinc/59/68/66/1039596866.db2.gz MPMVVCNMLIOWLH-GXTWGEPZSA-N 0 1 310.235 4.304 20 10 DICDMN COc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000324132680 1040051734 /nfs/dbraw/zinc/05/17/34/1040051734.db2.gz IRZHVTLGKDMBEA-HNNXBMFYSA-N 0 1 321.420 4.447 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccccc2Cl)c1[O-] ZINC000177231364 1040577051 /nfs/dbraw/zinc/57/70/51/1040577051.db2.gz XWZBBGBETLNDKL-JTQLQIEISA-N 0 1 321.779 4.238 20 10 DICDMN CC(C)n1ccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000280230826 1040674247 /nfs/dbraw/zinc/67/42/47/1040674247.db2.gz HFRWBZRZMMXAAN-UHFFFAOYSA-N 0 1 300.189 4.089 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809729517 1041224153 /nfs/dbraw/zinc/22/41/53/1041224153.db2.gz UTWRACALVCVZGA-HNNXBMFYSA-N 0 1 323.223 4.431 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1cccnc1 ZINC000809763931 1041249861 /nfs/dbraw/zinc/24/98/61/1041249861.db2.gz BKCAMMSREPGRFY-LLVKDONJSA-N 0 1 308.784 4.163 20 10 DICDMN COc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000809783303 1041255010 /nfs/dbraw/zinc/25/50/10/1041255010.db2.gz XUSPVRJEOVIRIX-INIZCTEOSA-N 0 1 303.427 4.045 20 10 DICDMN CCC[C@](C)(O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218011 1041337302 /nfs/dbraw/zinc/33/73/02/1041337302.db2.gz NQHKSPZNROBECN-ZFWWWQNUSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@@H]([NH2+]CCCSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217699 1041338151 /nfs/dbraw/zinc/33/81/51/1041338151.db2.gz AETRAQLLUWIRBM-GFCCVEGCSA-N 0 1 307.381 4.205 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217782 1041338232 /nfs/dbraw/zinc/33/82/32/1041338232.db2.gz BHHAFWHYEBKPQO-JOYOIKCWSA-N 0 1 307.381 4.203 20 10 DICDMN CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222159 1041339456 /nfs/dbraw/zinc/33/94/56/1041339456.db2.gz OHWGJTDZXXFZKJ-DZGCQCFKSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@H](O)CCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227344 1041342211 /nfs/dbraw/zinc/34/22/11/1041342211.db2.gz VUNOAHDLJDBICP-JSGCOSHPSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@@H]([NH2+]C1CCSCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225099 1041342419 /nfs/dbraw/zinc/34/24/19/1041342419.db2.gz TXRNEMGILZKOGJ-CYBMUJFWSA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@H]([NH2+]CCCCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229243 1041343595 /nfs/dbraw/zinc/34/35/95/1041343595.db2.gz AXELUEHSTSVDLA-AWEZNQCLSA-N 0 1 319.367 4.004 20 10 DICDMN CC[C@@H](O)CCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227346 1041343915 /nfs/dbraw/zinc/34/39/15/1041343915.db2.gz VUNOAHDLJDBICP-TZMCWYRMSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208616 1041347112 /nfs/dbraw/zinc/34/71/12/1041347112.db2.gz CXVLNJHLZYCJKB-HNNXBMFYSA-N 0 1 324.346 4.355 20 10 DICDMN CCOC(C)(C)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238308 1041352923 /nfs/dbraw/zinc/35/29/23/1041352923.db2.gz JAYDENDOODZDFY-ZDUSSCGKSA-N 0 1 319.367 4.267 20 10 DICDMN C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000328422612 1041435564 /nfs/dbraw/zinc/43/55/64/1041435564.db2.gz ZKAIIRYHJPTGCL-PBHICJAKSA-N 0 1 319.404 4.200 20 10 DICDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000312001880 1041513763 /nfs/dbraw/zinc/51/37/63/1041513763.db2.gz YGDUYEJOHBMQTP-UHFFFAOYSA-N 0 1 320.230 4.180 20 10 DICDMN C[C@H](NCc1ccnc(Cl)c1Cl)c1ccc(N(C)C)cc1 ZINC000811491400 1041524908 /nfs/dbraw/zinc/52/49/08/1041524908.db2.gz KKQAJTKDPPBWQX-NSHDSACASA-N 0 1 324.255 4.305 20 10 DICDMN COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000188796086 1041689739 /nfs/dbraw/zinc/68/97/39/1041689739.db2.gz UPDCFVVZQQTGEB-ZIAGYGMSSA-N 0 1 322.408 4.361 20 10 DICDMN O=C(/C=C/c1ccccc1)NCc1cc(Cl)cc(Cl)c1O ZINC000813685809 1041727130 /nfs/dbraw/zinc/72/71/30/1041727130.db2.gz SUKAVJMLNGSRBR-VOTSOKGWSA-N 0 1 322.191 4.029 20 10 DICDMN CCSc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000813791012 1041732833 /nfs/dbraw/zinc/73/28/33/1041732833.db2.gz OBIVQLCJCLDFFZ-UHFFFAOYSA-N 0 1 307.846 4.447 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(F)cn2)cc1F ZINC000092747840 1041760673 /nfs/dbraw/zinc/76/06/73/1041760673.db2.gz AETUNBMKWBMBAD-ZDUSSCGKSA-N 0 1 319.399 4.057 20 10 DICDMN Oc1ccccc1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000759826885 1041761600 /nfs/dbraw/zinc/76/16/00/1041761600.db2.gz AMXMCDPPMXJVHG-UHFFFAOYSA-N 0 1 308.208 4.478 20 10 DICDMN CC(F)(F)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000815141599 1041924671 /nfs/dbraw/zinc/92/46/71/1041924671.db2.gz CMGRAWSWQPCNEW-UHFFFAOYSA-N 0 1 311.759 4.447 20 10 DICDMN Cc1cc(C)c([C@H](C)NCc2c(F)cc(F)cc2F)c(O)c1 ZINC000815649753 1041985474 /nfs/dbraw/zinc/98/54/74/1041985474.db2.gz XYSMPBNDDQVVOF-NSHDSACASA-N 0 1 309.331 4.277 20 10 DICDMN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000756778770 1042017767 /nfs/dbraw/zinc/01/77/67/1042017767.db2.gz PLHFLPFLQIPMLD-RBOXIYTFSA-N 0 1 311.853 4.290 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C(C)C)c1[O-] ZINC000748050423 1042033344 /nfs/dbraw/zinc/03/33/44/1042033344.db2.gz ASTNBBMTVVSBML-GOSISDBHSA-N 0 1 315.388 4.221 20 10 DICDMN CN(C)c1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816477581 1042055426 /nfs/dbraw/zinc/05/54/26/1042055426.db2.gz CNFRPHMUOZMPMM-UHFFFAOYSA-N 0 1 320.436 4.243 20 10 DICDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816477581 1042055431 /nfs/dbraw/zinc/05/54/31/1042055431.db2.gz CNFRPHMUOZMPMM-UHFFFAOYSA-N 0 1 320.436 4.243 20 10 DICDMN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816482685 1042055968 /nfs/dbraw/zinc/05/59/68/1042055968.db2.gz OYLKIAGLRPNKOY-LJQANCHMSA-N 0 1 306.409 4.221 20 10 DICDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816482685 1042055972 /nfs/dbraw/zinc/05/59/72/1042055972.db2.gz OYLKIAGLRPNKOY-LJQANCHMSA-N 0 1 306.409 4.221 20 10 DICDMN COc1cccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])c1 ZINC000816480940 1042056588 /nfs/dbraw/zinc/05/65/88/1042056588.db2.gz BXLISUAXCVPQDY-UHFFFAOYSA-N 0 1 307.393 4.186 20 10 DICDMN COc1cccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])c1 ZINC000816480940 1042056591 /nfs/dbraw/zinc/05/65/91/1042056591.db2.gz BXLISUAXCVPQDY-UHFFFAOYSA-N 0 1 307.393 4.186 20 10 DICDMN CC[N@H+](CCc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816496011 1042057125 /nfs/dbraw/zinc/05/71/25/1042057125.db2.gz RZVPGFQBNKEWPN-UHFFFAOYSA-N 0 1 306.409 4.005 20 10 DICDMN CC[N@@H+](CCc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816496011 1042057128 /nfs/dbraw/zinc/05/71/28/1042057128.db2.gz RZVPGFQBNKEWPN-UHFFFAOYSA-N 0 1 306.409 4.005 20 10 DICDMN [O-]c1c(C[NH2+]CCc2cc(F)cc(F)c2)ccc2ccccc21 ZINC000816545756 1042063077 /nfs/dbraw/zinc/06/30/77/1042063077.db2.gz GITVATDBEGEYSJ-UHFFFAOYSA-N 0 1 313.347 4.156 20 10 DICDMN [O-]c1c(C[NH2+]C[C@@H]2CCOc3ccccc32)ccc2ccccc21 ZINC000816549140 1042064984 /nfs/dbraw/zinc/06/49/84/1042064984.db2.gz FWCKFDIYNHPKAB-INIZCTEOSA-N 0 1 319.404 4.201 20 10 DICDMN CC(C)[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccnc1 ZINC000816555499 1042067019 /nfs/dbraw/zinc/06/70/19/1042067019.db2.gz HJEYDSAEILGQSB-FQEVSTJZSA-N 0 1 320.436 4.470 20 10 DICDMN CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816555260 1042067270 /nfs/dbraw/zinc/06/72/70/1042067270.db2.gz YQCORIOIEAHRKP-FXAWDEMLSA-N 0 1 313.441 4.086 20 10 DICDMN COC1CCC(CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816569410 1042068686 /nfs/dbraw/zinc/06/86/86/1042068686.db2.gz KMYXDJPQAWBRPF-UHFFFAOYSA-N 0 1 313.441 4.230 20 10 DICDMN C[C@@H](C[N@H+](C)Cc1ccc2ccccc2c1[O-])c1nccs1 ZINC000816568859 1042068825 /nfs/dbraw/zinc/06/88/25/1042068825.db2.gz RXCRFCYWOPBZRD-ZDUSSCGKSA-N 0 1 312.438 4.237 20 10 DICDMN C[C@@H](C[N@@H+](C)Cc1ccc2ccccc2c1[O-])c1nccs1 ZINC000816568859 1042068834 /nfs/dbraw/zinc/06/88/34/1042068834.db2.gz RXCRFCYWOPBZRD-ZDUSSCGKSA-N 0 1 312.438 4.237 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816594976 1042069885 /nfs/dbraw/zinc/06/98/85/1042069885.db2.gz VBIBDROTVYFHEQ-NHYWBVRUSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594976 1042069891 /nfs/dbraw/zinc/06/98/91/1042069891.db2.gz VBIBDROTVYFHEQ-NHYWBVRUSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594976 1042069894 /nfs/dbraw/zinc/06/98/94/1042069894.db2.gz VBIBDROTVYFHEQ-NHYWBVRUSA-N 0 1 309.331 4.318 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccc2ccccc21 ZINC000816610641 1042072750 /nfs/dbraw/zinc/07/27/50/1042072750.db2.gz SBDLNATZGNBOAR-LJQANCHMSA-N 0 1 304.393 4.278 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc2ccccc21 ZINC000816610641 1042072753 /nfs/dbraw/zinc/07/27/53/1042072753.db2.gz SBDLNATZGNBOAR-LJQANCHMSA-N 0 1 304.393 4.278 20 10 DICDMN [O-]c1c(C[NH+]2CC(c3ccccc3F)C2)ccc2ccccc21 ZINC000816616934 1042073562 /nfs/dbraw/zinc/07/35/62/1042073562.db2.gz JYUZJUILQWVXLJ-UHFFFAOYSA-N 0 1 307.368 4.284 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)c(F)cc2O)[C@H]1c1ccncc1 ZINC000816621414 1042074955 /nfs/dbraw/zinc/07/49/55/1042074955.db2.gz HQKJRSIAOCEVMO-INIZCTEOSA-N 0 1 320.795 4.163 20 10 DICDMN Oc1c(CNCc2c(F)cc(F)cc2F)ccc2ccccc21 ZINC000816651121 1042076342 /nfs/dbraw/zinc/07/63/42/1042076342.db2.gz UDZFBFKCBACCKR-UHFFFAOYSA-N 0 1 317.310 4.253 20 10 DICDMN CC(C)(CC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000816682114 1042077746 /nfs/dbraw/zinc/07/77/46/1042077746.db2.gz PHZWNGPWBZQWTM-UHFFFAOYSA-N 0 1 316.228 4.142 20 10 DICDMN C[C@H]([NH2+]CC1SCCS1)c1ccc2ccccc2c1[O-] ZINC000692856750 1042077866 /nfs/dbraw/zinc/07/78/66/1042077866.db2.gz RGGYLKCDLVGLHO-NSHDSACASA-N 0 1 305.468 4.002 20 10 DICDMN CC(C)(C)C(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000816681825 1042078169 /nfs/dbraw/zinc/07/81/69/1042078169.db2.gz HYKLRBPLNJWONA-UHFFFAOYSA-N 0 1 318.244 4.388 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2C(C)C)c1 ZINC001204657558 1042123391 /nfs/dbraw/zinc/12/33/91/1042123391.db2.gz IFXRKVGLVOAARD-CQSZACIVSA-N 0 1 312.251 4.084 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817366779 1042106051 /nfs/dbraw/zinc/10/60/51/1042106051.db2.gz ZFFSKTCJUCZECM-GFCCVEGCSA-N 0 1 324.346 4.105 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817366779 1042106064 /nfs/dbraw/zinc/10/60/64/1042106064.db2.gz ZFFSKTCJUCZECM-GFCCVEGCSA-N 0 1 324.346 4.105 20 10 DICDMN C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000817968096 1042134730 /nfs/dbraw/zinc/13/47/30/1042134730.db2.gz PAHCCBYFZLFPSY-GTNSWQLSSA-N 0 1 316.832 4.356 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1cc(Cl)ccc1[O-] ZINC000817981516 1042136221 /nfs/dbraw/zinc/13/62/21/1042136221.db2.gz SPFDITOEIIEWMP-MRXNPFEDSA-N 0 1 304.821 4.177 20 10 DICDMN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000319391805 1042365742 /nfs/dbraw/zinc/36/57/42/1042365742.db2.gz YCXSNHNEJBRRJL-AWEZNQCLSA-N 0 1 301.430 4.259 20 10 DICDMN CCOCC(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000319391807 1042365860 /nfs/dbraw/zinc/36/58/60/1042365860.db2.gz YCXSNHNEJBRRJL-CQSZACIVSA-N 0 1 301.430 4.259 20 10 DICDMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000237468525 1042376786 /nfs/dbraw/zinc/37/67/86/1042376786.db2.gz OIUYJSHVWHPCEU-RDTXWAMCSA-N 0 1 310.441 4.075 20 10 DICDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000279930467 1042385664 /nfs/dbraw/zinc/38/56/64/1042385664.db2.gz AQMPFBPNAVBSBY-GUTXKFCHSA-N 0 1 316.449 4.134 20 10 DICDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000279930482 1042386496 /nfs/dbraw/zinc/38/64/96/1042386496.db2.gz AQMPFBPNAVBSBY-YDHLFZDLSA-N 0 1 316.449 4.134 20 10 DICDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc2ccccc2c1[O-] ZINC000248732969 1042445472 /nfs/dbraw/zinc/44/54/72/1042445472.db2.gz PCEUOLMTUHQXTA-NLKHACGTSA-N 0 1 323.436 4.154 20 10 DICDMN CC[C@H](NCc1csc([C@@H](C)OC)n1)c1ccc(C)cc1O ZINC000280097785 1042564281 /nfs/dbraw/zinc/56/42/81/1042564281.db2.gz MXGVRZGPDLORME-DOMZBBRYSA-N 0 1 320.458 4.105 20 10 DICDMN CC[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(C)cc1O ZINC000794814390 1043059261 /nfs/dbraw/zinc/05/92/61/1043059261.db2.gz FHHCYRDJFXXFKP-HUUCEWRRSA-N 0 1 319.351 4.153 20 10 DICDMN CC(C)COC[C@@H](N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000183478111 1043164587 /nfs/dbraw/zinc/16/45/87/1043164587.db2.gz SUMAFZPANPLDSR-GOEBONIOSA-N 0 1 303.402 4.050 20 10 DICDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183729478 1043171547 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CCc1noc(CC)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185678404 1043206120 /nfs/dbraw/zinc/20/61/20/1043206120.db2.gz SKEPSGDIDHNIAJ-SNVBAGLBSA-N 0 1 308.809 4.009 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc2ccccc2c1[O-] ZINC000185772726 1043206998 /nfs/dbraw/zinc/20/69/98/1043206998.db2.gz IDDHLXYSBYOVMV-JGNHQEBTSA-N 0 1 311.425 4.154 20 10 DICDMN CCOc1ccc(N[C@H](C)c2ccc(F)c(F)c2O)cc1OC ZINC000187883293 1043253160 /nfs/dbraw/zinc/25/31/60/1043253160.db2.gz YDJFQMZGYNYQNP-SNVBAGLBSA-N 0 1 323.339 4.251 20 10 DICDMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N2CCCCC2)cc1 ZINC000271527171 1043431420 /nfs/dbraw/zinc/43/14/20/1043431420.db2.gz QIROGHJPWYCCAN-BEFAXECRSA-N 0 1 324.472 4.128 20 10 DICDMN Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000872134638 1043474706 /nfs/dbraw/zinc/47/47/06/1043474706.db2.gz SWPPLQPOGBRYSL-GXTWGEPZSA-N 0 1 307.397 4.056 20 10 DICDMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872133325 1043476148 /nfs/dbraw/zinc/47/61/48/1043476148.db2.gz LWIBJRFZCVHJCQ-DOTOQJQBSA-N 0 1 324.472 4.187 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000825710430 1043567324 /nfs/dbraw/zinc/56/73/24/1043567324.db2.gz POCIVSVNXRABBI-JTQLQIEISA-N 0 1 307.743 4.128 20 10 DICDMN CC[C@@H]1CC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707132388 1043540251 /nfs/dbraw/zinc/54/02/51/1043540251.db2.gz OXAOJBXBMQZUEC-NWDGAFQWSA-N 0 1 312.251 4.165 20 10 DICDMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707132388 1043540259 /nfs/dbraw/zinc/54/02/59/1043540259.db2.gz OXAOJBXBMQZUEC-NWDGAFQWSA-N 0 1 312.251 4.165 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000825710430 1043567309 /nfs/dbraw/zinc/56/73/09/1043567309.db2.gz POCIVSVNXRABBI-JTQLQIEISA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000825710430 1043567318 /nfs/dbraw/zinc/56/73/18/1043567318.db2.gz POCIVSVNXRABBI-JTQLQIEISA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc(CN[C@H](C)c2ccnnc2)c(C)n1-c1cccc(C)c1 ZINC000926765286 1043628520 /nfs/dbraw/zinc/62/85/20/1043628520.db2.gz RXAJSYVPJWKGOC-MRXNPFEDSA-N 0 1 320.440 4.043 20 10 DICDMN C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc2ccccc2c1[O-] ZINC000926916406 1043654812 /nfs/dbraw/zinc/65/48/12/1043654812.db2.gz PZYBGVHNTAAOKE-BOUXLOLZSA-N 0 1 311.425 4.155 20 10 DICDMN C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(Cl)cc1[O-] ZINC000926919137 1043656206 /nfs/dbraw/zinc/65/62/06/1043656206.db2.gz LRJWBOQFZJJAQX-SNVBAGLBSA-N 0 1 322.861 4.232 20 10 DICDMN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000927067779 1043681687 /nfs/dbraw/zinc/68/16/87/1043681687.db2.gz GRTXCPJRTJFFIW-IFXJQAMLSA-N 0 1 323.440 4.327 20 10 DICDMN CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000927135768 1043697188 /nfs/dbraw/zinc/69/71/88/1043697188.db2.gz UOLDADUBOPCDLT-LBPRGKRZSA-N 0 1 310.397 4.255 20 10 DICDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000825943560 1043752009 /nfs/dbraw/zinc/75/20/09/1043752009.db2.gz HJHWKCXZIOENHI-CQSZACIVSA-N 0 1 311.853 4.134 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000825943560 1043752019 /nfs/dbraw/zinc/75/20/19/1043752019.db2.gz HJHWKCXZIOENHI-CQSZACIVSA-N 0 1 311.853 4.134 20 10 DICDMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)n1 ZINC000127010473 1043798723 /nfs/dbraw/zinc/79/87/23/1043798723.db2.gz ZTVYTMLYWDDYPM-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)n1 ZINC000127010473 1043798733 /nfs/dbraw/zinc/79/87/33/1043798733.db2.gz ZTVYTMLYWDDYPM-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(C)nc2Cl)cc1 ZINC000883302015 1044262979 /nfs/dbraw/zinc/26/29/79/1044262979.db2.gz OGSJVQBRENHLLC-CQSZACIVSA-N 0 1 317.864 4.350 20 10 DICDMN Cc1nocc1CNCc1ccc(N(C)C2CCCCC2)cc1 ZINC000293537693 1044295882 /nfs/dbraw/zinc/29/58/82/1044295882.db2.gz JXNOQNSQCDLQIE-UHFFFAOYSA-N 0 1 313.445 4.042 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000475201667 1044323070 /nfs/dbraw/zinc/32/30/70/1044323070.db2.gz JJAMHTYYYGDLQV-DYVFJYSZSA-N 0 1 308.425 4.493 20 10 DICDMN CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000293772667 1044327726 /nfs/dbraw/zinc/32/77/26/1044327726.db2.gz SGBOYRZGUUNMHJ-LBPRGKRZSA-N 0 1 310.397 4.255 20 10 DICDMN CCCc1nc(C)c(CN[C@H](CC)c2ccc(N(C)C)cc2)o1 ZINC000293901388 1044348261 /nfs/dbraw/zinc/34/82/61/1044348261.db2.gz ZPZYGBZZZXVBFW-QGZVFWFLSA-N 0 1 315.461 4.242 20 10 DICDMN CC[C@H](NCc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000133040771 1044351473 /nfs/dbraw/zinc/35/14/73/1044351473.db2.gz YMGKAKYRYLPFTB-SFHVURJKSA-N 0 1 304.384 4.272 20 10 DICDMN C[C@@H](N[C@H](c1ccccc1)c1ccccn1)c1ccccc1O ZINC000361292547 1044386885 /nfs/dbraw/zinc/38/68/85/1044386885.db2.gz HCOZALBJTNTBJX-FOIQADDNSA-N 0 1 304.393 4.227 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ncc(Cl)s1 ZINC000719442300 1044610597 /nfs/dbraw/zinc/61/05/97/1044610597.db2.gz SHECLDQYSDRBBR-ZJUUUORDSA-N 0 1 308.834 4.149 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816481717 1044689974 /nfs/dbraw/zinc/68/99/74/1044689974.db2.gz GSVGBPRGZNXWJQ-AWEZNQCLSA-N 0 1 309.331 4.320 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816481717 1044689983 /nfs/dbraw/zinc/68/99/83/1044689983.db2.gz GSVGBPRGZNXWJQ-AWEZNQCLSA-N 0 1 309.331 4.320 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000779021761 1045146581 /nfs/dbraw/zinc/14/65/81/1045146581.db2.gz YKKBGQVETTWVIC-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN CC(C)(NCc1ccc2c(c1)CCO2)c1nc2ccccc2s1 ZINC000527745411 1045257653 /nfs/dbraw/zinc/25/76/53/1045257653.db2.gz POWUHPMKIGJMMC-UHFFFAOYSA-N 0 1 324.449 4.256 20 10 DICDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000800498442 1045634868 /nfs/dbraw/zinc/63/48/68/1045634868.db2.gz KJCMPHRVWNGOFH-INWMFGNUSA-N 0 1 319.420 4.019 20 10 DICDMN C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000800499868 1045635777 /nfs/dbraw/zinc/63/57/77/1045635777.db2.gz NTQVYPAVRDXGCN-GWCFXTLKSA-N 0 1 313.363 4.495 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@H]1CCc2c1c(F)ccc2F ZINC000753857046 1045812867 /nfs/dbraw/zinc/81/28/67/1045812867.db2.gz CVMPCNQFWYPLKD-SFHVURJKSA-N 0 1 316.395 4.116 20 10 DICDMN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCCCO1)C1CCCC1 ZINC000754042824 1045838791 /nfs/dbraw/zinc/83/87/91/1045838791.db2.gz DSLVQMUCSGCAQY-SFHVURJKSA-N 0 1 303.446 4.096 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCCCO1)C1CCCC1 ZINC000754042824 1045838816 /nfs/dbraw/zinc/83/88/16/1045838816.db2.gz DSLVQMUCSGCAQY-SFHVURJKSA-N 0 1 303.446 4.096 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000192870736 1045946811 /nfs/dbraw/zinc/94/68/11/1045946811.db2.gz KJKWJYLYRIQOCE-AWEZNQCLSA-N 0 1 307.393 4.405 20 10 DICDMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000193009329 1045959927 /nfs/dbraw/zinc/95/99/27/1045959927.db2.gz TYESMMHSDMZPGS-KBPBESRZSA-N 0 1 316.420 4.312 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001137837809 1045981339 /nfs/dbraw/zinc/98/13/39/1045981339.db2.gz VORPPOZTYWZNMB-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001137839243 1045981527 /nfs/dbraw/zinc/98/15/27/1045981527.db2.gz XZTMSHJBHSELOK-HNNXBMFYSA-N 0 1 317.379 4.125 20 10 DICDMN Cc1cc(CN2CCc3cccnc3C2)c(C)n1-c1ccccc1 ZINC001137859277 1045987575 /nfs/dbraw/zinc/98/75/75/1045987575.db2.gz RDOGPUCMIGIDGO-UHFFFAOYSA-N 0 1 317.436 4.047 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000802655934 1046026855 /nfs/dbraw/zinc/02/68/55/1046026855.db2.gz ATOOXUDILIMNFP-QGZVFWFLSA-N 0 1 305.780 4.116 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](CC)C1 ZINC000802657330 1046028133 /nfs/dbraw/zinc/02/81/33/1046028133.db2.gz AZWFZXSEPHCROZ-FUHWJXTLSA-N 0 1 305.462 4.200 20 10 DICDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](CC)C1 ZINC000802657330 1046028146 /nfs/dbraw/zinc/02/81/46/1046028146.db2.gz AZWFZXSEPHCROZ-FUHWJXTLSA-N 0 1 305.462 4.200 20 10 DICDMN CC(C)CCOCCN(Cc1ccco1)Cc1ccccc1O ZINC000755944495 1046030786 /nfs/dbraw/zinc/03/07/86/1046030786.db2.gz ZVXGORYJKMQVOP-UHFFFAOYSA-N 0 1 317.429 4.050 20 10 DICDMN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756379306 1046075134 /nfs/dbraw/zinc/07/51/34/1046075134.db2.gz NCHKTSQWDAOSPM-MNOVXSKESA-N 0 1 324.218 4.030 20 10 DICDMN C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756494877 1046091120 /nfs/dbraw/zinc/09/11/20/1046091120.db2.gz OXIAGLCNMOPXDN-OLZOCXBDSA-N 0 1 305.805 4.164 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000756534360 1046096125 /nfs/dbraw/zinc/09/61/25/1046096125.db2.gz KHJCSEUNHQWUCA-QWHCGFSZSA-N 0 1 319.832 4.423 20 10 DICDMN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756581208 1046102701 /nfs/dbraw/zinc/10/27/01/1046102701.db2.gz AZYWGWRZZGPYSO-ZDUSSCGKSA-N 0 1 318.848 4.271 20 10 DICDMN CCCC[C@H](COC)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756584982 1046104592 /nfs/dbraw/zinc/10/45/92/1046104592.db2.gz IAKPTPFBOOYCFH-GDBMZVCRSA-N 0 1 301.430 4.401 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001138129917 1046106681 /nfs/dbraw/zinc/10/66/81/1046106681.db2.gz ZGMYZQMDQXZCKO-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000756613494 1046109479 /nfs/dbraw/zinc/10/94/79/1046109479.db2.gz PSDNCXLINMSJHP-KNXALSJPSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Oc1ccccc1F ZINC000756609736 1046109521 /nfs/dbraw/zinc/10/95/21/1046109521.db2.gz NGIFLBQEDUPTQT-NEPJUHHUSA-N 0 1 323.795 4.303 20 10 DICDMN C[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1ccncc1 ZINC000756637022 1046113773 /nfs/dbraw/zinc/11/37/73/1046113773.db2.gz YVQVACSLPUSPOB-LSDHHAIUSA-N 0 1 306.409 4.395 20 10 DICDMN C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1cc(Cl)ccc1[O-] ZINC000756638021 1046114215 /nfs/dbraw/zinc/11/42/15/1046114215.db2.gz QKINVSPGUJCHRL-SNVBAGLBSA-N 0 1 311.759 4.217 20 10 DICDMN COCCC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000756648158 1046115807 /nfs/dbraw/zinc/11/58/07/1046115807.db2.gz ZCADYHIGVBLDTB-ZFWWWQNUSA-N 0 1 321.436 4.266 20 10 DICDMN C[C@@H]([NH2+]CCNc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000756644223 1046116551 /nfs/dbraw/zinc/11/65/51/1046116551.db2.gz ZNSNLPPSQFUXQQ-OAHLLOKOSA-N 0 1 306.409 4.308 20 10 DICDMN C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756659871 1046117946 /nfs/dbraw/zinc/11/79/46/1046117946.db2.gz GZBDQLKKYZLPDZ-KCXAZCMYSA-N 0 1 321.436 4.001 20 10 DICDMN CC(C)c1csc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756657737 1046118083 /nfs/dbraw/zinc/11/80/83/1046118083.db2.gz FWFXAZUOEXWLFO-CMPLNLGQSA-N 0 1 320.433 4.449 20 10 DICDMN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756704134 1046122635 /nfs/dbraw/zinc/12/26/35/1046122635.db2.gz FQACZZDNLOOFSU-QWHCGFSZSA-N 0 1 305.805 4.164 20 10 DICDMN C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000756755597 1046126326 /nfs/dbraw/zinc/12/63/26/1046126326.db2.gz BGODSHPGSZNUOP-LRDDRELGSA-N 0 1 311.853 4.292 20 10 DICDMN C[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)c2c1c(F)ccc2O ZINC000756758415 1046128197 /nfs/dbraw/zinc/12/81/97/1046128197.db2.gz FMYFARYPAUQWFK-BXKDBHETSA-N 0 1 318.417 4.203 20 10 DICDMN C[C@H]1C[C@H](NCc2nc(C3CC3)cs2)c2c1c(F)ccc2O ZINC000756758418 1046128310 /nfs/dbraw/zinc/12/83/10/1046128310.db2.gz FMYFARYPAUQWFK-CABZTGNLSA-N 0 1 318.417 4.203 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(C)c1 ZINC000756761112 1046128655 /nfs/dbraw/zinc/12/86/55/1046128655.db2.gz RGWMXYVZCQBUNH-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756769288 1046130653 /nfs/dbraw/zinc/13/06/53/1046130653.db2.gz DONOWSKAMPCJHT-IFXJQAMLSA-N 0 1 315.457 4.239 20 10 DICDMN CSc1cc(C)ccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000756900252 1046149226 /nfs/dbraw/zinc/14/92/26/1046149226.db2.gz LZJJAWVVXLXSGI-UHFFFAOYSA-N 0 1 307.846 4.366 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccsc2)c(OC)c1 ZINC001138389262 1046162669 /nfs/dbraw/zinc/16/26/69/1046162669.db2.gz HQEIEACAGZNINJ-UHFFFAOYSA-N 0 1 318.486 4.235 20 10 DICDMN C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1cc(Cl)ccc1[O-] ZINC000903183008 1046184590 /nfs/dbraw/zinc/18/45/90/1046184590.db2.gz XDLOHEULZMNBRV-LBPRGKRZSA-N 0 1 316.832 4.170 20 10 DICDMN CC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(Cl)ccc1[O-] ZINC000903283634 1046222142 /nfs/dbraw/zinc/22/21/42/1046222142.db2.gz RZTOSNRYBZKWOA-DJBJLQPQSA-N 0 1 309.837 4.044 20 10 DICDMN Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000903303962 1046231466 /nfs/dbraw/zinc/23/14/66/1046231466.db2.gz XEBPYDXDMUVUAI-CYBMUJFWSA-N 0 1 319.832 4.006 20 10 DICDMN C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cc(Cl)ccc1[O-] ZINC000903325600 1046239164 /nfs/dbraw/zinc/23/91/64/1046239164.db2.gz VCXRSTSOLAQYHO-FFLHNBHYSA-N 0 1 309.837 4.044 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1ccccc1N1CCCCC1 ZINC001138608837 1046239435 /nfs/dbraw/zinc/23/94/35/1046239435.db2.gz VEDBHERJJZJACT-UHFFFAOYSA-N 0 1 324.468 4.405 20 10 DICDMN C[C@H](N[C@H](c1ncccn1)C1CC1)c1ccc2ccccc2c1O ZINC000903324259 1046239888 /nfs/dbraw/zinc/23/98/88/1046239888.db2.gz CXPHWCBHNFCEKD-UGSOOPFHSA-N 0 1 319.408 4.137 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1ccccc1N1CCCC1 ZINC001138613039 1046242123 /nfs/dbraw/zinc/24/21/23/1046242123.db2.gz GADZOBDDNMJBAS-UHFFFAOYSA-N 0 1 310.441 4.015 20 10 DICDMN CCc1cccnc1[C@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000780714339 1046400639 /nfs/dbraw/zinc/40/06/39/1046400639.db2.gz SNIIXFDXECIBAY-INIZCTEOSA-N 0 1 311.473 4.341 20 10 DICDMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000780793434 1046407004 /nfs/dbraw/zinc/40/70/04/1046407004.db2.gz NPFKZNQKRRQSDD-WCQYABFASA-N 0 1 318.358 4.055 20 10 DICDMN Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000247054242 1046455295 /nfs/dbraw/zinc/45/52/95/1046455295.db2.gz VIGDKOIIMRCCRR-WMLDXEAASA-N 0 1 317.454 4.033 20 10 DICDMN CC[N@@H+](Cc1ccoc1)Cc1cc(C)cc(Br)c1[O-] ZINC000781908677 1046486474 /nfs/dbraw/zinc/48/64/74/1046486474.db2.gz LBHPWORHCOGINN-UHFFFAOYSA-N 0 1 324.218 4.078 20 10 DICDMN CC[N@@H+](Cc1ccc(-c2cccnc2)cc1)Cc1ccccc1O ZINC001139644886 1046493621 /nfs/dbraw/zinc/49/36/21/1046493621.db2.gz UGOYRTXZMONDAY-UHFFFAOYSA-N 0 1 318.420 4.476 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683845 1046499214 /nfs/dbraw/zinc/49/92/14/1046499214.db2.gz NFCCOKBPPCRPMS-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN C[N@@H+](Cc1ccc2ccccc2c1)Cc1c(F)ccc(F)c1[O-] ZINC001139687328 1046500275 /nfs/dbraw/zinc/50/02/75/1046500275.db2.gz LQFXTRWYGGMDDI-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN CCCn1nc(C)c(C[N@@H+](CCC)Cc2ccccc2O)c1C ZINC000092704952 1046557633 /nfs/dbraw/zinc/55/76/33/1046557633.db2.gz YWPSMXIHYSPVDY-UHFFFAOYSA-N 0 1 315.461 4.028 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001140059191 1046577419 /nfs/dbraw/zinc/57/74/19/1046577419.db2.gz YCXCHUXQDNRZEO-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN Oc1ccc(F)cc1CN(Cc1ccccc1)Cc1ccccn1 ZINC001140057101 1046578575 /nfs/dbraw/zinc/57/85/75/1046578575.db2.gz CJSXIUQQFWRPRS-UHFFFAOYSA-N 0 1 322.383 4.129 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001140059169 1046578884 /nfs/dbraw/zinc/57/88/84/1046578884.db2.gz WXFVSUJJTWDDLZ-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746847 1046608030 /nfs/dbraw/zinc/60/80/30/1046608030.db2.gz LOPVZAYMXYFYDX-RYUDHWBXSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1ccc(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000783603777 1046613066 /nfs/dbraw/zinc/61/30/66/1046613066.db2.gz XVYBPXYHCSNYFD-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN Oc1ccc(-c2ccccc2)cc1CN1CCc2ncsc2C1 ZINC000783745560 1046630967 /nfs/dbraw/zinc/63/09/67/1046630967.db2.gz NZDLUGWCCURMOE-UHFFFAOYSA-N 0 1 322.433 4.074 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001140341197 1046666589 /nfs/dbraw/zinc/66/65/89/1046666589.db2.gz CDOMDCGORBOLMP-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001140341197 1046666595 /nfs/dbraw/zinc/66/65/95/1046666595.db2.gz CDOMDCGORBOLMP-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN Oc1cccc(Cl)c1CN1CCSC[C@H]1c1ccccc1 ZINC001140341197 1046666598 /nfs/dbraw/zinc/66/65/98/1046666598.db2.gz CDOMDCGORBOLMP-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN Cc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001140341799 1046667690 /nfs/dbraw/zinc/66/76/90/1046667690.db2.gz HUGBBNZVIUCNCJ-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001140341799 1046667691 /nfs/dbraw/zinc/66/76/91/1046667691.db2.gz HUGBBNZVIUCNCJ-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN COc1cccc([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC001140342708 1046668029 /nfs/dbraw/zinc/66/80/29/1046668029.db2.gz VIBUEELSSCPEOX-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC001140342708 1046668037 /nfs/dbraw/zinc/66/80/37/1046668037.db2.gz VIBUEELSSCPEOX-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001140344949 1046668079 /nfs/dbraw/zinc/66/80/79/1046668079.db2.gz OBOBMDXWWZVQFA-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001140344949 1046668088 /nfs/dbraw/zinc/66/80/88/1046668088.db2.gz OBOBMDXWWZVQFA-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001140344952 1046668693 /nfs/dbraw/zinc/66/86/93/1046668693.db2.gz OBOBMDXWWZVQFA-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001140344952 1046668697 /nfs/dbraw/zinc/66/86/97/1046668697.db2.gz OBOBMDXWWZVQFA-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN Cc1ccccc1O[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140344829 1046668723 /nfs/dbraw/zinc/66/87/23/1046668723.db2.gz NBMNHFPNBCRSPU-CQSZACIVSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140344829 1046668733 /nfs/dbraw/zinc/66/87/33/1046668733.db2.gz NBMNHFPNBCRSPU-CQSZACIVSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000834883211 1046697375 /nfs/dbraw/zinc/69/73/75/1046697375.db2.gz NONRVPYYKUPWLS-KBPBESRZSA-N 0 1 323.864 4.354 20 10 DICDMN CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000834885043 1046698438 /nfs/dbraw/zinc/69/84/38/1046698438.db2.gz GCDVVXSDFQYCSO-LGWLGOQQSA-N 0 1 321.436 4.120 20 10 DICDMN CCCc1ncc(CN[C@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000834898832 1046710336 /nfs/dbraw/zinc/71/03/36/1046710336.db2.gz HBVVOXBRWGFNIL-CYBMUJFWSA-N 0 1 314.429 4.062 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccc(C)cn1)c1cc(Cl)ccc1[O-] ZINC000834908165 1046718292 /nfs/dbraw/zinc/71/82/92/1046718292.db2.gz CGUPUEFSQJAPIF-MRXNPFEDSA-N 0 1 304.821 4.032 20 10 DICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140464599 1046735007 /nfs/dbraw/zinc/73/50/07/1046735007.db2.gz WOUNBYPGWSXHSH-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140464599 1046735019 /nfs/dbraw/zinc/73/50/19/1046735019.db2.gz WOUNBYPGWSXHSH-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140464599 1046735028 /nfs/dbraw/zinc/73/50/28/1046735028.db2.gz WOUNBYPGWSXHSH-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001140465097 1046738289 /nfs/dbraw/zinc/73/82/89/1046738289.db2.gz HGKDFSQYXICBGO-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001140465097 1046738296 /nfs/dbraw/zinc/73/82/96/1046738296.db2.gz HGKDFSQYXICBGO-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN Cc1cnc(C(C)(C)NC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835043556 1046746359 /nfs/dbraw/zinc/74/63/59/1046746359.db2.gz RXNBDHSEGCTHSM-SREVYHEPSA-N 0 1 315.486 4.056 20 10 DICDMN CSc1cccc(F)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000797008456 1046770796 /nfs/dbraw/zinc/77/07/96/1046770796.db2.gz LGZBJROZTHJOGV-ZDUSSCGKSA-N 0 1 318.461 4.464 20 10 DICDMN CSc1cccc(F)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000797008454 1046771173 /nfs/dbraw/zinc/77/11/73/1046771173.db2.gz LGZBJROZTHJOGV-CYBMUJFWSA-N 0 1 318.461 4.464 20 10 DICDMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140580790 1046793612 /nfs/dbraw/zinc/79/36/12/1046793612.db2.gz FOWFDFMWUBXOSR-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001140582773 1046794048 /nfs/dbraw/zinc/79/40/48/1046794048.db2.gz MPXMTCKTORETBC-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001140584168 1046795890 /nfs/dbraw/zinc/79/58/90/1046795890.db2.gz GWEVNKKCMAUIAZ-AWEZNQCLSA-N 0 1 303.352 4.050 20 10 DICDMN Cc1c(O)ccc(CN2CCC[C@@H]2c2cc(F)ccc2F)c1O ZINC001140746212 1046881965 /nfs/dbraw/zinc/88/19/65/1046881965.db2.gz WAPUSUDBHAKHSA-MRXNPFEDSA-N 0 1 319.351 4.022 20 10 DICDMN Cc1c(O)ccc(CN2CCC[C@H]2c2ccc(F)cc2F)c1O ZINC001140747529 1046884118 /nfs/dbraw/zinc/88/41/18/1046884118.db2.gz DPOPSYCKFAAFBR-INIZCTEOSA-N 0 1 319.351 4.022 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000797880708 1046901681 /nfs/dbraw/zinc/90/16/81/1046901681.db2.gz YJOYTMPZZJFBGO-YGUOUDRMSA-N 0 1 305.780 4.221 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001140922001 1046951326 /nfs/dbraw/zinc/95/13/26/1046951326.db2.gz ZKHDKHWKRZANLC-SFHVURJKSA-N 0 1 315.848 4.138 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001140922001 1046951334 /nfs/dbraw/zinc/95/13/34/1046951334.db2.gz ZKHDKHWKRZANLC-SFHVURJKSA-N 0 1 315.848 4.138 20 10 DICDMN CCN(Cc1cccs1)Cc1ccc(N(C)C)cc1Cl ZINC001140926715 1046953651 /nfs/dbraw/zinc/95/36/51/1046953651.db2.gz RKUFMYQANXHLHP-UHFFFAOYSA-N 0 1 308.878 4.490 20 10 DICDMN COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(C)cc2O)c1 ZINC001140950166 1046957778 /nfs/dbraw/zinc/95/77/78/1046957778.db2.gz SXHIRBBRWVTOTE-IBGZPJMESA-N 0 1 311.425 4.436 20 10 DICDMN Cc1cc(CN(Cc2ccccc2)Cc2ccc(C)cc2O)on1 ZINC001140957782 1046962982 /nfs/dbraw/zinc/96/29/82/1046962982.db2.gz NUJCGKZFGSUHKM-UHFFFAOYSA-N 0 1 322.408 4.199 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001116402249 1047136953 /nfs/dbraw/zinc/13/69/53/1047136953.db2.gz OUKPCWLMXWYYBB-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001116402249 1047136957 /nfs/dbraw/zinc/13/69/57/1047136957.db2.gz OUKPCWLMXWYYBB-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN CCC[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC001141737747 1047284389 /nfs/dbraw/zinc/28/43/89/1047284389.db2.gz GZLVNJNNVJATRW-LBPRGKRZSA-N 0 1 318.244 4.388 20 10 DICDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccccc2)c1O ZINC000388391099 1047287344 /nfs/dbraw/zinc/28/73/44/1047287344.db2.gz JETBUODTJCDVKE-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142520824 1047293128 /nfs/dbraw/zinc/29/31/28/1047293128.db2.gz PVFSIXZSBDYGHZ-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN CSc1cccc(F)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000796452178 1047293540 /nfs/dbraw/zinc/29/35/40/1047293540.db2.gz XAAPUESNAPVFGV-UHFFFAOYSA-N 0 1 311.809 4.196 20 10 DICDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c2c1c(F)ccc2[O-] ZINC001118428298 1047293818 /nfs/dbraw/zinc/29/38/18/1047293818.db2.gz SCEXHQVPSOTRSK-HMUNZLOLSA-N 0 1 311.347 4.103 20 10 DICDMN C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc2ccccc2c1[O-] ZINC000390166475 1047295582 /nfs/dbraw/zinc/29/55/82/1047295582.db2.gz NGWBZLYHMWTBMJ-HNNXBMFYSA-N 0 1 313.441 4.281 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000390350940 1047297256 /nfs/dbraw/zinc/29/72/56/1047297256.db2.gz YSTKAEWRXMYJMO-JKSUJKDBSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc2ccccc2c1[O-] ZINC000390425942 1047297952 /nfs/dbraw/zinc/29/79/52/1047297952.db2.gz QKABNDSKNGDJHI-CQSZACIVSA-N 0 1 302.377 4.268 20 10 DICDMN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc2ccccc2c1[O-] ZINC000391185313 1047304461 /nfs/dbraw/zinc/30/44/61/1047304461.db2.gz MOCHSFPGZGUTIV-OAHLLOKOSA-N 0 1 312.457 4.070 20 10 DICDMN Cc1ccccc1[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777844 1047313411 /nfs/dbraw/zinc/31/34/11/1047313411.db2.gz HITAHNSWBVEYEM-QGZVFWFLSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777844 1047313424 /nfs/dbraw/zinc/31/34/24/1047313424.db2.gz HITAHNSWBVEYEM-QGZVFWFLSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1nc(CNCc2cc(-c3ccccc3)ccc2O)cs1 ZINC000725846376 1047319479 /nfs/dbraw/zinc/31/94/79/1047319479.db2.gz BLPBFLHSEHRMTJ-UHFFFAOYSA-N 0 1 310.422 4.114 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]CCSCc1ccccc1 ZINC000725842060 1047320206 /nfs/dbraw/zinc/32/02/06/1047320206.db2.gz ZIYGYNHRWCOYKG-UHFFFAOYSA-N 0 1 307.846 4.069 20 10 DICDMN Cc1[nH]c2ccc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2c1C ZINC000725848419 1047321238 /nfs/dbraw/zinc/32/12/38/1047321238.db2.gz SSRGZCRHDCOKRT-UHFFFAOYSA-N 0 1 314.816 4.434 20 10 DICDMN COc1ccc([C@@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1F ZINC000840902296 1047357648 /nfs/dbraw/zinc/35/76/48/1047357648.db2.gz NTQNKYPNTRRJIM-LLVKDONJSA-N 0 1 323.795 4.353 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC000840910451 1047359267 /nfs/dbraw/zinc/35/92/67/1047359267.db2.gz MUWMKVRGWKTQNX-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC000840910451 1047359278 /nfs/dbraw/zinc/35/92/78/1047359278.db2.gz MUWMKVRGWKTQNX-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cnc([C@@H](NCc2ccc(N(C)C)cc2C)C2CC2)s1 ZINC000840933651 1047360477 /nfs/dbraw/zinc/36/04/77/1047360477.db2.gz IYKWPCUUBPNADS-KRWDZBQOSA-N 0 1 315.486 4.067 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)c(Cl)c1 ZINC000840936612 1047360588 /nfs/dbraw/zinc/36/05/88/1047360588.db2.gz MRASLDCJJAURCJ-KBPBESRZSA-N 0 1 311.853 4.037 20 10 DICDMN CC[C@@](C)(NCc1ccc(N(C)C)cc1C)c1nc(C)cs1 ZINC000840934928 1047361343 /nfs/dbraw/zinc/36/13/43/1047361343.db2.gz ZTDBPPBKNPBAHP-GOSISDBHSA-N 0 1 317.502 4.241 20 10 DICDMN CC[C@H](NCc1ccc(N(C)C)cc1C)c1nc(C)cs1 ZINC000840934510 1047361730 /nfs/dbraw/zinc/36/17/30/1047361730.db2.gz RBROBOOQFVFXBZ-INIZCTEOSA-N 0 1 303.475 4.067 20 10 DICDMN Cc1csc([C@@H](C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840939204 1047362572 /nfs/dbraw/zinc/36/25/72/1047362572.db2.gz KKUFVVMLHCQITO-JTQLQIEISA-N 0 1 310.850 4.012 20 10 DICDMN CCOCc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744393 1047447220 /nfs/dbraw/zinc/44/72/20/1047447220.db2.gz HHCPJGIITXLOFI-ZDUSSCGKSA-N 0 1 319.832 4.433 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1[O-] ZINC000841748274 1047448412 /nfs/dbraw/zinc/44/84/12/1047448412.db2.gz JTXRNQRQHTVMGZ-MEBBXXQBSA-N 0 1 321.779 4.359 20 10 DICDMN C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1O ZINC000841748606 1047448678 /nfs/dbraw/zinc/44/86/78/1047448678.db2.gz AWQNZUFOCRYEDE-ZDUSSCGKSA-N 0 1 322.880 4.103 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1c(C)nn(C)c1C ZINC000841748511 1047448871 /nfs/dbraw/zinc/44/88/71/1047448871.db2.gz ADNHHLTVTVVSJN-MEBBXXQBSA-N 0 1 321.852 4.198 20 10 DICDMN C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1[O-] ZINC000841750879 1047449972 /nfs/dbraw/zinc/44/99/72/1047449972.db2.gz KAXHMYJPMZWAIR-QWRGUYRKSA-N 0 1 320.776 4.366 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841750243 1047450682 /nfs/dbraw/zinc/45/06/82/1047450682.db2.gz WEPOQWRZRHZPCZ-SGTLLEGYSA-N 0 1 317.816 4.010 20 10 DICDMN COCC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000841753149 1047452522 /nfs/dbraw/zinc/45/25/22/1047452522.db2.gz JTCRCCMVRRFZBN-RISCZKNCSA-N 0 1 309.793 4.067 20 10 DICDMN CC[C@H]([NH2+][C@H]1COCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000841758228 1047453357 /nfs/dbraw/zinc/45/33/57/1047453357.db2.gz ABMBTAMHNZWALI-IRXDYDNUSA-N 0 1 317.816 4.358 20 10 DICDMN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841757284 1047453516 /nfs/dbraw/zinc/45/35/16/1047453516.db2.gz NCLWZBAMKHKDKT-VEVIJQCQSA-N 0 1 319.832 4.127 20 10 DICDMN CC(C)c1csc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841758264 1047453796 /nfs/dbraw/zinc/45/37/96/1047453796.db2.gz KXSYDYFCFFQRKT-JTQLQIEISA-N 0 1 310.850 4.476 20 10 DICDMN C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000841758023 1047453843 /nfs/dbraw/zinc/45/38/43/1047453843.db2.gz RDMXPUHQTOQBHV-PELKAZGASA-N 0 1 308.636 4.280 20 10 DICDMN C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000841758029 1047453966 /nfs/dbraw/zinc/45/39/66/1047453966.db2.gz RDMXPUHQTOQBHV-UFBFGSQYSA-N 0 1 308.636 4.280 20 10 DICDMN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765248 1047455701 /nfs/dbraw/zinc/45/57/01/1047455701.db2.gz WCTLWJKKIORDKI-CYBMUJFWSA-N 0 1 318.848 4.271 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001142508866 1047462983 /nfs/dbraw/zinc/46/29/83/1047462983.db2.gz OJRJIUFOEYFMOW-QGZVFWFLSA-N 0 1 303.352 4.398 20 10 DICDMN CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530539 1047465323 /nfs/dbraw/zinc/46/53/23/1047465323.db2.gz IQKQJVLRUBQGIK-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CCN(Cc1csc(Cl)c1)Cc1ccc(N(C)C)cc1 ZINC001142776213 1047493641 /nfs/dbraw/zinc/49/36/41/1047493641.db2.gz XOFYBFXEJSBBFJ-UHFFFAOYSA-N 0 1 308.878 4.490 20 10 DICDMN COc1ccccc1C1([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000842902155 1047511806 /nfs/dbraw/zinc/51/18/06/1047511806.db2.gz MESZZGDUDSAKMP-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN Cc1cc([C@@H]2CCCN2Cc2cccc(C(C)(C)C)c2O)no1 ZINC001143104644 1047532770 /nfs/dbraw/zinc/53/27/70/1047532770.db2.gz WTCKXULNLBWZDP-KRWDZBQOSA-N 0 1 314.429 4.323 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419186 1047548504 /nfs/dbraw/zinc/54/85/04/1047548504.db2.gz FQKVKNIPZKPTEI-LBPRGKRZSA-N 0 1 323.223 4.084 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419185 1047548534 /nfs/dbraw/zinc/54/85/34/1047548534.db2.gz FQKVKNIPZKPTEI-GFCCVEGCSA-N 0 1 323.223 4.084 20 10 DICDMN CC[C@@H]([NH2+][C@H](c1cnn(C)c1)C(C)C)c1cc(Cl)ccc1[O-] ZINC000927069711 1047795202 /nfs/dbraw/zinc/79/52/02/1047795202.db2.gz MPCMMOVSNXQIFS-WBVHZDCISA-N 0 1 321.852 4.217 20 10 DICDMN CCc1cccnc1[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000780708767 1047916925 /nfs/dbraw/zinc/91/69/25/1047916925.db2.gz HRQCGMPJJOYOGI-INIZCTEOSA-N 0 1 309.457 4.095 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1OC ZINC001183444615 1047929101 /nfs/dbraw/zinc/92/91/01/1047929101.db2.gz OVMAKRQQNBSALY-HNNXBMFYSA-N 0 1 305.805 4.295 20 10 DICDMN C[C@H](NCc1cccc(F)c1Cl)c1ccc(N(C)C)cc1 ZINC000775830155 1047934025 /nfs/dbraw/zinc/93/40/25/1047934025.db2.gz DUSLULKZTMTUCQ-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN Oc1cc2ccccc2cc1CNc1nc2[nH]cnc2cc1Cl ZINC001160205772 1047996164 /nfs/dbraw/zinc/99/61/64/1047996164.db2.gz ATRSDMMKPGUJQV-UHFFFAOYSA-N 0 1 324.771 4.082 20 10 DICDMN CCc1onc(C)c1C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000927133336 1048053511 /nfs/dbraw/zinc/05/35/11/1048053511.db2.gz CABWXIWSZKOOTA-AWEZNQCLSA-N 0 1 308.809 4.145 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@H]2c2cc(F)ccc2F)cc1 ZINC001203934648 1048064357 /nfs/dbraw/zinc/06/43/57/1048064357.db2.gz YSMYRWFGEMXKJH-IBGZPJMESA-N 0 1 316.395 4.368 20 10 DICDMN Cc1cc(CN2CC(C)(C)[C@@H]2c2cccnc2)ccc1N(C)C ZINC001174983392 1048081151 /nfs/dbraw/zinc/08/11/51/1048081151.db2.gz IUGUPORGJDBLFY-IBGZPJMESA-N 0 1 309.457 4.039 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013770 1048089051 /nfs/dbraw/zinc/08/90/51/1048089051.db2.gz OFOWCYOZAOIYDA-CABZTGNLSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013770 1048089057 /nfs/dbraw/zinc/08/90/57/1048089057.db2.gz OFOWCYOZAOIYDA-CABZTGNLSA-N 0 1 307.743 4.208 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000776219973 1048394116 /nfs/dbraw/zinc/39/41/16/1048394116.db2.gz SQOLRHPFDPQNHQ-UHFFFAOYSA-N 0 1 324.811 4.397 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001203664173 1048403086 /nfs/dbraw/zinc/40/30/86/1048403086.db2.gz PQMGWQJHKYRSBJ-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001203664173 1048403093 /nfs/dbraw/zinc/40/30/93/1048403093.db2.gz PQMGWQJHKYRSBJ-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001203664172 1048404046 /nfs/dbraw/zinc/40/40/46/1048404046.db2.gz PQMGWQJHKYRSBJ-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001203664172 1048404056 /nfs/dbraw/zinc/40/40/56/1048404056.db2.gz PQMGWQJHKYRSBJ-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN COc1cc(Cl)cc(CN(C)Cc2cc(C)ccc2F)c1O ZINC000775168911 1048519062 /nfs/dbraw/zinc/51/90/62/1048519062.db2.gz UHSUDTKIRVSGBX-UHFFFAOYSA-N 0 1 323.795 4.134 20 10 DICDMN C[C@H](NCc1ccccc1O)c1nc(-c2ccccc2)cs1 ZINC000107321740 1048580418 /nfs/dbraw/zinc/58/04/18/1048580418.db2.gz VWQQWTVFKGLYRT-ZDUSSCGKSA-N 0 1 310.422 4.367 20 10 DICDMN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000850482375 1048671569 /nfs/dbraw/zinc/67/15/69/1048671569.db2.gz OVMTWXJUODDKGZ-WFASDCNBSA-N 0 1 304.821 4.285 20 10 DICDMN CC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850527546 1048680655 /nfs/dbraw/zinc/68/06/55/1048680655.db2.gz GUQCHYDSZQSAHG-LZLYRXPVSA-N 0 1 317.816 4.265 20 10 DICDMN COCc1csc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000850533407 1048685647 /nfs/dbraw/zinc/68/56/47/1048685647.db2.gz XKSPFCBOVCTSMW-SNVBAGLBSA-N 0 1 311.834 4.104 20 10 DICDMN CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000850585523 1048700860 /nfs/dbraw/zinc/70/08/60/1048700860.db2.gz YXQMBXPQORTMNW-PUECVXPYSA-N 0 1 319.832 4.208 20 10 DICDMN C[C@H](NCc1ccc(F)cc1Cl)c1ccc(N(C)C)cc1 ZINC000775362617 1048703880 /nfs/dbraw/zinc/70/38/80/1048703880.db2.gz IYXWTZZRERLWHU-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001190913440 1048806302 /nfs/dbraw/zinc/80/63/02/1048806302.db2.gz KZTKIFXXRJXKFK-RYUDHWBXSA-N 0 1 307.409 4.133 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC=CC23CCCCC3)c1[O-] ZINC001176996452 1048814175 /nfs/dbraw/zinc/81/41/75/1048814175.db2.gz XSVQETTVTMZZHO-UHFFFAOYSA-N 0 1 319.832 4.323 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC=CC23CCCCC3)c1[O-] ZINC001176996452 1048814190 /nfs/dbraw/zinc/81/41/90/1048814190.db2.gz XSVQETTVTMZZHO-UHFFFAOYSA-N 0 1 319.832 4.323 20 10 DICDMN CCc1onc(C)c1CNCc1cc(C)n(-c2ccccc2)c1C ZINC001203357550 1048881019 /nfs/dbraw/zinc/88/10/19/1048881019.db2.gz KRPKFNQZRLCVBZ-UHFFFAOYSA-N 0 1 323.440 4.243 20 10 DICDMN c1nc(C2CCCC2)sc1CNCc1ccc2c(c1)CCO2 ZINC001177586417 1048919222 /nfs/dbraw/zinc/91/92/22/1048919222.db2.gz CTMQXHXQAVRWMP-UHFFFAOYSA-N 0 1 314.454 4.025 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001203573729 1048932524 /nfs/dbraw/zinc/93/25/24/1048932524.db2.gz GJMWPVHAKYWBCK-AOOOYVTPSA-N 0 1 322.182 4.176 20 10 DICDMN C[C@@]1(F)CCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203573731 1048933874 /nfs/dbraw/zinc/93/38/74/1048933874.db2.gz GKEDEVRTSVJBMQ-CQSZACIVSA-N 0 1 306.208 4.413 20 10 DICDMN C[N@@H+](Cc1ccccc1F)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580505 1048935340 /nfs/dbraw/zinc/93/53/40/1048935340.db2.gz PMKHTMYSFVEEFQ-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN Cc1cccc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])c1 ZINC001203636109 1048944632 /nfs/dbraw/zinc/94/46/32/1048944632.db2.gz OLKRMIVGIMGVBW-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1cccc(C[N@H+](C)Cc2cc(Br)ccc2[O-])c1 ZINC001203636109 1048944640 /nfs/dbraw/zinc/94/46/40/1048944640.db2.gz OLKRMIVGIMGVBW-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN CCC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C)CC ZINC001203635035 1048945105 /nfs/dbraw/zinc/94/51/05/1048945105.db2.gz GZNGPSYUJJHDAF-NSHDSACASA-N 0 1 300.240 4.165 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001203657721 1048951169 /nfs/dbraw/zinc/95/11/69/1048951169.db2.gz MVTQZSCCLILXKZ-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001203657721 1048951179 /nfs/dbraw/zinc/95/11/79/1048951179.db2.gz MVTQZSCCLILXKZ-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2cccs2)CC1 ZINC001203658464 1048951866 /nfs/dbraw/zinc/95/18/66/1048951866.db2.gz WKCMSPRPYDYBPJ-UHFFFAOYSA-N 0 1 307.846 4.487 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001203657719 1048952010 /nfs/dbraw/zinc/95/20/10/1048952010.db2.gz MVTQZSCCLILXKZ-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001203657719 1048952026 /nfs/dbraw/zinc/95/20/26/1048952026.db2.gz MVTQZSCCLILXKZ-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@H]2c2cc(F)ccc2F)c1 ZINC001203678246 1048960109 /nfs/dbraw/zinc/96/01/09/1048960109.db2.gz IIKASPMGDNXSPW-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(COC)cc1)c1cc(Cl)ccc1[O-] ZINC000775487676 1049009554 /nfs/dbraw/zinc/00/95/54/1049009554.db2.gz NDGDLJYASFRGAQ-KRWDZBQOSA-N 0 1 319.832 4.433 20 10 DICDMN CCOc1ncccc1C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775491128 1049013231 /nfs/dbraw/zinc/01/32/31/1049013231.db2.gz AQPXSDXSPPLPAC-OAHLLOKOSA-N 0 1 320.820 4.080 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775493879 1049026344 /nfs/dbraw/zinc/02/63/44/1049026344.db2.gz VYLIAEZCUZAJLJ-SJLPKXTDSA-N 0 1 319.832 4.474 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(C(C)C)no1)c1cc(Cl)ccc1[O-] ZINC000775508336 1049043251 /nfs/dbraw/zinc/04/32/51/1049043251.db2.gz UARQEYPCVLWLCJ-AWEZNQCLSA-N 0 1 308.809 4.398 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775503914 1049046952 /nfs/dbraw/zinc/04/69/52/1049046952.db2.gz PRQNUSZLJZQDOI-FUHWJXTLSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccc(C)nc1)c1cc(Cl)ccc1[O-] ZINC000775503429 1049047225 /nfs/dbraw/zinc/04/72/25/1049047225.db2.gz IKBKAEBSQNTSBP-MRXNPFEDSA-N 0 1 304.821 4.032 20 10 DICDMN CCc1cnc(CC[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])s1 ZINC000775508055 1049047402 /nfs/dbraw/zinc/04/74/02/1049047402.db2.gz HHRUCQZQKIZUIK-AWEZNQCLSA-N 0 1 324.877 4.348 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(Cl)ccc1[O-] ZINC000775513540 1049049662 /nfs/dbraw/zinc/04/96/62/1049049662.db2.gz LACQCIHVUZCOFU-MKVSYHDVSA-N 0 1 309.837 4.044 20 10 DICDMN CC[C@@H]([NH2+]CCCc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775513631 1049050529 /nfs/dbraw/zinc/05/05/29/1049050529.db2.gz SGWPHBXUYXXETP-MRXNPFEDSA-N 0 1 322.836 4.324 20 10 DICDMN CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1cc(Cl)ccc1[O-] ZINC000775513406 1049053017 /nfs/dbraw/zinc/05/30/17/1049053017.db2.gz IDYMKORNDRFBDJ-OAHLLOKOSA-N 0 1 311.853 4.293 20 10 DICDMN CC[C@H]([NH2+]CC1CCC(OC)CC1)c1cc(Cl)ccc1[O-] ZINC000775511341 1049054666 /nfs/dbraw/zinc/05/46/66/1049054666.db2.gz DSGWUHYDOREJFO-PXCJXSSVSA-N 0 1 311.853 4.292 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775511622 1049056782 /nfs/dbraw/zinc/05/67/82/1049056782.db2.gz FRZFPLOEPBVLDI-SJORKVTESA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775522770 1049081616 /nfs/dbraw/zinc/08/16/16/1049081616.db2.gz ZWJSHNZVISMISO-SJLPKXTDSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+]CCc1ccncc1C)c1cc(Cl)ccc1[O-] ZINC000775524015 1049084824 /nfs/dbraw/zinc/08/48/24/1049084824.db2.gz ONENGEDREZVPTC-INIZCTEOSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775523522 1049088033 /nfs/dbraw/zinc/08/80/33/1049088033.db2.gz JQCSCTQNOCKFTG-MEBBXXQBSA-N 0 1 322.836 4.495 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(OC)cc1F)c1cc(Cl)ccc1[O-] ZINC000775527700 1049097309 /nfs/dbraw/zinc/09/73/09/1049097309.db2.gz SPKWKJOKZABLEU-MRXNPFEDSA-N 0 1 323.795 4.434 20 10 DICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)ccc1F ZINC001204220530 1049114567 /nfs/dbraw/zinc/11/45/67/1049114567.db2.gz CULNCVKWENPZRI-UHFFFAOYSA-N 0 1 304.384 4.053 20 10 DICDMN CN(C)c1ccc(CN2CC[C@](C)(F)[C@@H](F)C2)c2ccccc21 ZINC001204233150 1049116291 /nfs/dbraw/zinc/11/62/91/1049116291.db2.gz OLGVYMBEBPWBLG-OALUTQOASA-N 0 1 318.411 4.178 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H](c2ccco2)C1 ZINC001204270097 1049126298 /nfs/dbraw/zinc/12/62/98/1049126298.db2.gz IWQFVCZVRIZATP-ABAIWWIYSA-N 0 1 307.340 4.237 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2cc(OC)ccc2F)cc1 ZINC000857080133 1049126224 /nfs/dbraw/zinc/12/62/24/1049126224.db2.gz DODGDUFVRZIZQD-CQSZACIVSA-N 0 1 316.420 4.141 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775555940 1049154000 /nfs/dbraw/zinc/15/40/00/1049154000.db2.gz SZENBVMYAZYDOH-JLJPHGGASA-N 0 1 309.837 4.044 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3cccnc3c2)c(Cl)c1 ZINC001179343279 1049158793 /nfs/dbraw/zinc/15/87/93/1049158793.db2.gz GRKYEYLRTRGEMZ-UHFFFAOYSA-N 0 1 312.800 4.192 20 10 DICDMN Cc1ccc2[nH]c(NC/C=C\c3ccc(N(C)C)cc3)nc2c1 ZINC001179442979 1049165940 /nfs/dbraw/zinc/16/59/40/1049165940.db2.gz JVEKIZNMHLZWKX-PLNGDYQASA-N 0 1 306.413 4.063 20 10 DICDMN CNc1ccccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001179844885 1049213624 /nfs/dbraw/zinc/21/36/24/1049213624.db2.gz FZAPMGSPUZXYNG-UHFFFAOYSA-N 0 1 323.484 4.351 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC3(CCCC3)C2)c1[O-] ZINC001193517920 1049220857 /nfs/dbraw/zinc/22/08/57/1049220857.db2.gz ZGLJNGVWSHMCSM-UHFFFAOYSA-N 0 1 321.848 4.404 20 10 DICDMN COCc1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC000858293566 1049237549 /nfs/dbraw/zinc/23/75/49/1049237549.db2.gz NOOMSPFPJXWUFP-UHFFFAOYSA-N 0 1 324.424 4.123 20 10 DICDMN Cc1cc(CN[C@H](C)c2cncc(F)c2)c(C)n1-c1ccccc1 ZINC000858294423 1049238179 /nfs/dbraw/zinc/23/81/79/1049238179.db2.gz YUBJAOJITFFMTG-OAHLLOKOSA-N 0 1 323.415 4.479 20 10 DICDMN C[C@@H](Nc1cnn(CCF)c1)c1ccc(Cl)c(Cl)c1O ZINC000858491412 1049262998 /nfs/dbraw/zinc/26/29/98/1049262998.db2.gz HDZNNNRZZICKAY-MRVPVSSYSA-N 0 1 318.179 4.038 20 10 DICDMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001204834447 1049280122 /nfs/dbraw/zinc/28/01/22/1049280122.db2.gz XAFRTEOIBRPVEN-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN C[C@H](NC1(c2c(F)cccc2F)CCC1)c1ccccc1O ZINC000858603009 1049282210 /nfs/dbraw/zinc/28/22/10/1049282210.db2.gz PAZVIDUOAFQSDR-LBPRGKRZSA-N 0 1 303.352 4.400 20 10 DICDMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142328 1049282736 /nfs/dbraw/zinc/28/27/36/1049282736.db2.gz MXXHATPCCIRZAE-UKRRQHHQSA-N 0 1 317.379 4.357 20 10 DICDMN C[N@@H+](CCCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001180121264 1049291572 /nfs/dbraw/zinc/29/15/72/1049291572.db2.gz OSDHBJPWQHTLPE-UHFFFAOYSA-N 0 1 307.796 4.249 20 10 DICDMN CC[C@H](NCc1ccc(N(C)CC)cc1)c1nc(C)cs1 ZINC000773841578 1049299619 /nfs/dbraw/zinc/29/96/19/1049299619.db2.gz XHMYIQBVKZYDIU-INIZCTEOSA-N 0 1 303.475 4.149 20 10 DICDMN CCC[C@@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001180203160 1049307674 /nfs/dbraw/zinc/30/76/74/1049307674.db2.gz KZVQBVRSNDAYCQ-SFHVURJKSA-N 0 1 310.432 4.433 20 10 DICDMN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(Cl)cc1[O-])CCC2 ZINC001204924571 1049313946 /nfs/dbraw/zinc/31/39/46/1049313946.db2.gz XEMUNOBKLILIGH-CQSZACIVSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(Cl)cc1[O-])CCC2 ZINC001204924571 1049313952 /nfs/dbraw/zinc/31/39/52/1049313952.db2.gz XEMUNOBKLILIGH-CQSZACIVSA-N 0 1 322.861 4.320 20 10 DICDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC001205094118 1049372928 /nfs/dbraw/zinc/37/29/28/1049372928.db2.gz QBVPRQFEUKKJMX-QGZVFWFLSA-N 0 1 303.352 4.180 20 10 DICDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@H]1CCCc2ccccc21 ZINC001205094117 1049374347 /nfs/dbraw/zinc/37/43/47/1049374347.db2.gz QBVPRQFEUKKJMX-KRWDZBQOSA-N 0 1 303.352 4.180 20 10 DICDMN [O-]c1c(C[N@H+]2CCCCC[C@@H]2c2ccncc2)ccc(F)c1F ZINC001205149618 1049396232 /nfs/dbraw/zinc/39/62/32/1049396232.db2.gz WPMGXKHQMUKROF-MRXNPFEDSA-N 0 1 318.367 4.183 20 10 DICDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001205291697 1049428934 /nfs/dbraw/zinc/42/89/34/1049428934.db2.gz OQDYGOASGPDUAZ-MLGOLLRUSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC12CCCCC2 ZINC001181087484 1049435365 /nfs/dbraw/zinc/43/53/65/1049435365.db2.gz MBYZVSLJXWNVDV-CYBMUJFWSA-N 0 1 309.400 4.463 20 10 DICDMN COc1cc(C)c(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c(O)c1 ZINC001205394815 1049458648 /nfs/dbraw/zinc/45/86/48/1049458648.db2.gz ZMDJQFZKZIRUTA-QGZVFWFLSA-N 0 1 311.425 4.007 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC001181338110 1049462900 /nfs/dbraw/zinc/46/29/00/1049462900.db2.gz ZTRMHKSYPZEUAG-UHFFFAOYSA-N 0 1 318.150 4.267 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1Cl ZINC001181350750 1049466651 /nfs/dbraw/zinc/46/66/51/1049466651.db2.gz UOCXMOMJNYXVPM-ONGXEEELSA-N 0 1 307.743 4.127 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1Cl ZINC001181350750 1049466656 /nfs/dbraw/zinc/46/66/56/1049466656.db2.gz UOCXMOMJNYXVPM-ONGXEEELSA-N 0 1 307.743 4.127 20 10 DICDMN CCc1ccc([C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)cc1 ZINC001181577917 1049492232 /nfs/dbraw/zinc/49/22/32/1049492232.db2.gz WFHTXDNPYFIZCQ-KRWDZBQOSA-N 0 1 313.416 4.473 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(Cl)c1[O-] ZINC000775645582 1049492451 /nfs/dbraw/zinc/49/24/51/1049492451.db2.gz BMZCKQZDQXUTCZ-UHFFFAOYSA-N 0 1 302.226 4.393 20 10 DICDMN C[C@H](c1ccccc1)[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001181656657 1049501227 /nfs/dbraw/zinc/50/12/27/1049501227.db2.gz SZDGWJTWKZXVNF-GFCCVEGCSA-N 0 1 303.352 4.396 20 10 DICDMN Cc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(C)c1O)CC3 ZINC000775654613 1049527104 /nfs/dbraw/zinc/52/71/04/1049527104.db2.gz MPUNWQHWTNFWLP-UHFFFAOYSA-N 0 1 306.409 4.049 20 10 DICDMN CN(Cc1cccn1C(F)F)Cc1ccc(N2CCCC2)cc1 ZINC001205708697 1049541073 /nfs/dbraw/zinc/54/10/73/1049541073.db2.gz GLWOYPDAMJKRLU-UHFFFAOYSA-N 0 1 319.399 4.115 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001181972198 1049559639 /nfs/dbraw/zinc/55/96/39/1049559639.db2.gz PVXUGWMNAHURIO-NSHDSACASA-N 0 1 323.770 4.313 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775667513 1049562208 /nfs/dbraw/zinc/56/22/08/1049562208.db2.gz KDFPVSFMPXUBIN-UHFFFAOYSA-N 0 1 323.795 4.303 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000775679168 1049602476 /nfs/dbraw/zinc/60/24/76/1049602476.db2.gz PHBMECFOSKDMQN-QGZVFWFLSA-N 0 1 317.816 4.009 20 10 DICDMN CC(C)[C@H]1[N@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001206040928 1049638030 /nfs/dbraw/zinc/63/80/30/1049638030.db2.gz QOSNZEIUHUEXIK-CQSZACIVSA-N 0 1 312.251 4.021 20 10 DICDMN CC(C)[C@H]1[N@@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001206040928 1049638035 /nfs/dbraw/zinc/63/80/35/1049638035.db2.gz QOSNZEIUHUEXIK-CQSZACIVSA-N 0 1 312.251 4.021 20 10 DICDMN COc1ccc(NCc2ccc(F)c(F)c2O)c2ccccc12 ZINC000864041341 1049634920 /nfs/dbraw/zinc/63/49/20/1049634920.db2.gz NWSLYJMAZNIKDF-UHFFFAOYSA-N 0 1 315.319 4.444 20 10 DICDMN CSc1ccccc1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000794657060 1049653204 /nfs/dbraw/zinc/65/32/04/1049653204.db2.gz RZYROULBOCLZLF-UHFFFAOYSA-N 0 1 324.449 4.294 20 10 DICDMN CSc1ccccc1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000794657060 1049653213 /nfs/dbraw/zinc/65/32/13/1049653213.db2.gz RZYROULBOCLZLF-UHFFFAOYSA-N 0 1 324.449 4.294 20 10 DICDMN Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001182462739 1049664267 /nfs/dbraw/zinc/66/42/67/1049664267.db2.gz RSWILVTXHUBBKI-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN Oc1c(F)cc(Cl)cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000775723603 1049667138 /nfs/dbraw/zinc/66/71/38/1049667138.db2.gz CBLUATPLUHKTNC-HNNXBMFYSA-N 0 1 309.743 4.271 20 10 DICDMN CCSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775734982 1049678176 /nfs/dbraw/zinc/67/81/76/1049678176.db2.gz FHNBOHDEUKAWIG-JTQLQIEISA-N 0 1 305.846 4.148 20 10 DICDMN CCc1ccc([C@@H](COC)N[C@H](CC)c2ccc(C)cc2O)o1 ZINC000794802428 1049697254 /nfs/dbraw/zinc/69/72/54/1049697254.db2.gz ODMMYMWUDRXMHT-IAGOWNOFSA-N 0 1 317.429 4.284 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCc2ccccc2CC1 ZINC001182685610 1049700252 /nfs/dbraw/zinc/70/02/52/1049700252.db2.gz SLVGJRAOGOPXKW-UHFFFAOYSA-N 0 1 301.817 4.083 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001206536702 1049751694 /nfs/dbraw/zinc/75/16/94/1049751694.db2.gz DPZIEIXBVIHAQO-IBGZPJMESA-N 0 1 309.384 4.425 20 10 DICDMN COCc1csc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC001206691369 1049779860 /nfs/dbraw/zinc/77/98/60/1049779860.db2.gz HJSSHFNLHCQKRA-UHFFFAOYSA-N 0 1 313.422 4.043 20 10 DICDMN CC1(c2ccccc2)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC001206743360 1049788935 /nfs/dbraw/zinc/78/89/35/1049788935.db2.gz RIRCSQODKLRMJN-UHFFFAOYSA-N 0 1 303.405 4.319 20 10 DICDMN Cc1cccc(C2=CC[N@@H+](Cc3cccc(F)c3[O-])CC2)c1C ZINC001207763277 1049936295 /nfs/dbraw/zinc/93/62/95/1049936295.db2.gz NQBFYYZLIKJXGF-UHFFFAOYSA-N 0 1 311.400 4.437 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC001207806264 1049941705 /nfs/dbraw/zinc/94/17/05/1049941705.db2.gz SAJGURDHBHHKQE-HZPDHXFCSA-N 0 1 315.844 4.322 20 10 DICDMN COc1cc(Cl)ccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000156813357 1049991019 /nfs/dbraw/zinc/99/10/19/1049991019.db2.gz MCORFJXGLDKPAQ-CYBMUJFWSA-N 0 1 318.848 4.265 20 10 DICDMN C[N@@H+](CCCc1ccccc1C(F)(F)F)Cc1ccccc1O ZINC001208830967 1050013752 /nfs/dbraw/zinc/01/37/52/1050013752.db2.gz IOLXVHPUJJKVIO-UHFFFAOYSA-N 0 1 323.358 4.476 20 10 DICDMN CCN(CC)c1ccc(CNCc2ccnc(Cl)c2F)cc1 ZINC000823671327 1050148210 /nfs/dbraw/zinc/14/82/10/1050148210.db2.gz LQNOMWOQKHAUHL-UHFFFAOYSA-N 0 1 321.827 4.010 20 10 DICDMN COc1ccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)cc1C ZINC000823753522 1050153208 /nfs/dbraw/zinc/15/32/08/1050153208.db2.gz WTVPCQCNMAPOFO-CQSZACIVSA-N 0 1 321.342 4.198 20 10 DICDMN Oc1c(Cl)cccc1Nc1ccncc1Oc1ccccc1 ZINC001210216979 1050161147 /nfs/dbraw/zinc/16/11/47/1050161147.db2.gz PYOFPAMYCZOSNW-UHFFFAOYSA-N 0 1 312.756 4.398 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824653984 1050230078 /nfs/dbraw/zinc/23/00/78/1050230078.db2.gz KBFHDCZKEFLIRS-SMDDNHRTSA-N 0 1 319.367 4.003 20 10 DICDMN Nc1ccc(N(c2ccccc2)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210398496 1050233858 /nfs/dbraw/zinc/23/38/58/1050233858.db2.gz KWXJOEWMDKZRTL-UHFFFAOYSA-N 0 1 321.336 4.352 20 10 DICDMN CCOCc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825103461 1050269495 /nfs/dbraw/zinc/26/94/95/1050269495.db2.gz YMKLEDBSOMFYQH-UHFFFAOYSA-N 0 1 319.832 4.180 20 10 DICDMN COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825127647 1050280171 /nfs/dbraw/zinc/28/01/71/1050280171.db2.gz ZCYVXHWPMXLCRZ-LLVKDONJSA-N 0 1 323.795 4.353 20 10 DICDMN C[C@H](CCc1cccc(F)c1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000734510689 1050280482 /nfs/dbraw/zinc/28/04/82/1050280482.db2.gz YNAOPMPKYSOXJD-GFCCVEGCSA-N 0 1 307.796 4.296 20 10 DICDMN CCc1nc([C@H](C)NCc2cc(Cl)c(C)cc2O)cs1 ZINC000825291536 1050290106 /nfs/dbraw/zinc/29/01/06/1050290106.db2.gz NCQMFDZVDCPVEP-JTQLQIEISA-N 0 1 310.850 4.224 20 10 DICDMN COc1cccc(C2([NH2+]Cc3cc(Cl)c(C)cc3[O-])CC2)c1 ZINC000825337435 1050295456 /nfs/dbraw/zinc/29/54/56/1050295456.db2.gz LVHGFDHDQJFNOC-UHFFFAOYSA-N 0 1 317.816 4.142 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1Cl ZINC000825341673 1050296225 /nfs/dbraw/zinc/29/62/25/1050296225.db2.gz QBOTXMLPVPSVIJ-HNNXBMFYSA-N 0 1 323.864 4.326 20 10 DICDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000771935486 1050300736 /nfs/dbraw/zinc/30/07/36/1050300736.db2.gz RNSYCLKMOINATP-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN Oc1ccc(Br)cc1CN1CC[C@H]1c1ccccc1 ZINC000771937378 1050301143 /nfs/dbraw/zinc/30/11/43/1050301143.db2.gz BXMWTGAZJNCSHX-HNNXBMFYSA-N 0 1 318.214 4.102 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000735508657 1050402280 /nfs/dbraw/zinc/40/22/80/1050402280.db2.gz JSFJSBHXRKEUMR-GOSISDBHSA-N 0 1 312.482 4.469 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(Cl)s1 ZINC000226646354 1050503392 /nfs/dbraw/zinc/50/33/92/1050503392.db2.gz BMEOYVCJUBEXDU-UHFFFAOYSA-N 0 1 302.226 4.093 20 10 DICDMN CC[C@H]1c2ccccc2CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738243483 1050531615 /nfs/dbraw/zinc/53/16/15/1050531615.db2.gz PBIXPHRZRQYFKG-FQEVSTJZSA-N 0 1 318.420 4.450 20 10 DICDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000738243483 1050531626 /nfs/dbraw/zinc/53/16/26/1050531626.db2.gz PBIXPHRZRQYFKG-FQEVSTJZSA-N 0 1 318.420 4.450 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC001171190439 1050597647 /nfs/dbraw/zinc/59/76/47/1050597647.db2.gz SICVIBUEAIVRLC-MBNYWOFBSA-N 0 1 307.409 4.038 20 10 DICDMN Fc1ccc2c(c1Cl)[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000845928229 1050636806 /nfs/dbraw/zinc/63/68/06/1050636806.db2.gz AVGYWWWZRDIPAI-HNNXBMFYSA-N 0 1 317.791 4.191 20 10 DICDMN CCC(O)(CC)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000788262815 1050662178 /nfs/dbraw/zinc/66/21/78/1050662178.db2.gz PSYCNRMHQYMZPC-CQSZACIVSA-N 0 1 301.430 4.137 20 10 DICDMN CCN(Cc1ccccc1O)Cc1cc(F)c(F)cc1Cl ZINC001144729246 1050678076 /nfs/dbraw/zinc/67/80/76/1050678076.db2.gz GOYRMYKNPZOKBX-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN COc1cccc([C@H](C)N[C@H](C)c2c(F)cccc2F)c1O ZINC000846145749 1050684368 /nfs/dbraw/zinc/68/43/68/1050684368.db2.gz QBHCMLAOTQFMAM-WDEREUQCSA-N 0 1 307.340 4.091 20 10 DICDMN CC[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000788608834 1050705803 /nfs/dbraw/zinc/70/58/03/1050705803.db2.gz CVXOEMNTTMYDME-OAHLLOKOSA-N 0 1 323.864 4.029 20 10 DICDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ccsc2)c1O ZINC000761191817 1050773117 /nfs/dbraw/zinc/77/31/17/1050773117.db2.gz WYEXRLKDMLHINT-AWEZNQCLSA-N 0 1 323.845 4.453 20 10 DICDMN COc1cc(Cl)cc(CN2CCC[C@H]2c2ccsc2)c1O ZINC000761191817 1050773133 /nfs/dbraw/zinc/77/31/33/1050773133.db2.gz WYEXRLKDMLHINT-AWEZNQCLSA-N 0 1 323.845 4.453 20 10 DICDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ccsc2)c1O ZINC000761191818 1050773155 /nfs/dbraw/zinc/77/31/55/1050773155.db2.gz WYEXRLKDMLHINT-CQSZACIVSA-N 0 1 323.845 4.453 20 10 DICDMN COc1cc(Cl)cc(CN2CCC[C@@H]2c2ccsc2)c1O ZINC000761191818 1050773163 /nfs/dbraw/zinc/77/31/63/1050773163.db2.gz WYEXRLKDMLHINT-CQSZACIVSA-N 0 1 323.845 4.453 20 10 DICDMN COc1c2ccccc2oc1CN[C@@H](C)c1cc(F)ccc1O ZINC000788978899 1050777824 /nfs/dbraw/zinc/77/78/24/1050777824.db2.gz BBWKCYIEJLZLLQ-NSHDSACASA-N 0 1 315.344 4.137 20 10 DICDMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772956223 1050779927 /nfs/dbraw/zinc/77/99/27/1050779927.db2.gz AIGYXLNDLFTESH-HNAYVOBHSA-N 0 1 310.441 4.154 20 10 DICDMN Cc1ccc(O)c(CN[C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000742384003 1050827526 /nfs/dbraw/zinc/82/75/26/1050827526.db2.gz XUWVZFTVLIIHAJ-ZDUSSCGKSA-N 0 1 324.207 4.231 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccc(C)cn2)cc1F ZINC000789593963 1050853586 /nfs/dbraw/zinc/85/35/86/1050853586.db2.gz DEYMQGBDODXXHF-UHFFFAOYSA-N 0 1 315.436 4.007 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790994994 1051015779 /nfs/dbraw/zinc/01/57/79/1051015779.db2.gz GSFVHXQOPRPPBV-HNNXBMFYSA-N 0 1 309.837 4.017 20 10 DICDMN Cc1cc(C[NH+](C)C)cc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790979593 1051019162 /nfs/dbraw/zinc/01/91/62/1051019162.db2.gz CRGMLIXYVTVWMF-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN Oc1ccc2ccccc2c1CN1CCOC[C@@H]1c1ccccc1 ZINC000743403968 1051024036 /nfs/dbraw/zinc/02/40/36/1051024036.db2.gz YNUSTTVMRCTBDU-HXUWFJFHSA-N 0 1 319.404 4.119 20 10 DICDMN Cc1nc2cc(NCc3cc4ccccc4cc3O)ccc2[nH]1 ZINC001171404473 1051090613 /nfs/dbraw/zinc/09/06/13/1051090613.db2.gz DBHCZGOJSNWDJL-UHFFFAOYSA-N 0 1 303.365 4.342 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171407488 1051095389 /nfs/dbraw/zinc/09/53/89/1051095389.db2.gz IQDGXIMIPMHUCR-SFHVURJKSA-N 0 1 321.395 4.332 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1OC ZINC000036995181 1051107579 /nfs/dbraw/zinc/10/75/79/1051107579.db2.gz RJHMTBYHDZUELJ-HNNXBMFYSA-N 0 1 305.805 4.295 20 10 DICDMN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000691412428 1051167949 /nfs/dbraw/zinc/16/79/49/1051167949.db2.gz BHMQUSDQBGHAEG-GFCCVEGCSA-N 0 1 320.230 4.314 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cnc2ccccc2n1 ZINC000792697943 1051209807 /nfs/dbraw/zinc/20/98/07/1051209807.db2.gz YEHAVAQWHGTATI-UHFFFAOYSA-N 0 1 320.179 4.254 20 10 DICDMN CC[N@H+](CCCCCF)Cc1cc(Br)ccc1[O-] ZINC000792866765 1051218806 /nfs/dbraw/zinc/21/88/06/1051218806.db2.gz JECQNKXSPIGSQH-UHFFFAOYSA-N 0 1 318.230 4.116 20 10 DICDMN CC[N@@H+](CCCCCF)Cc1cc(Br)ccc1[O-] ZINC000792866765 1051218817 /nfs/dbraw/zinc/21/88/17/1051218817.db2.gz JECQNKXSPIGSQH-UHFFFAOYSA-N 0 1 318.230 4.116 20 10 DICDMN COC[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ccco1 ZINC000747099536 1051239564 /nfs/dbraw/zinc/23/95/64/1051239564.db2.gz FKEDOESGUIATRG-SFHVURJKSA-N 0 1 323.392 4.130 20 10 DICDMN CSc1ccccc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000793231714 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CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C2CCCCC2)c1[O-] ZINC001617555684 1056847753 /nfs/dbraw/zinc/84/77/53/1056847753.db2.gz XQZUUYOFYHULAO-UHFFFAOYSA-N 0 1 307.409 4.182 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168703667 1056883791 /nfs/dbraw/zinc/88/37/91/1056883791.db2.gz JBUUHBAAZJVVAD-KRWDZBQOSA-N 0 1 323.823 4.456 20 10 DICDMN COc1cccc(F)c1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000766027931 1057128425 /nfs/dbraw/zinc/12/84/25/1057128425.db2.gz BFXFWGCMCGGEPI-AWEZNQCLSA-N 0 1 316.420 4.060 20 10 DICDMN [O-]c1cccc(F)c1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001137831932 1057283216 /nfs/dbraw/zinc/28/32/16/1057283216.db2.gz TVZQAAQAWRYVHV-UHFFFAOYSA-N 0 1 317.791 4.474 20 10 DICDMN CC(C)n1ccnc1CN(Cc1ccccc1O)C1CCCC1 ZINC000732204682 1057770614 /nfs/dbraw/zinc/77/06/14/1057770614.db2.gz ALUAGGLIJPGBRT-UHFFFAOYSA-N 0 1 313.445 4.114 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000732233191 1057771649 /nfs/dbraw/zinc/77/16/49/1057771649.db2.gz XLYMVTASYOGUPM-DLBZAZTESA-N 0 1 301.817 4.472 20 10 DICDMN Cn1ccc2c1ccnc2-c1cnc(F)c(-c2ccccc2)c1 ZINC001243882277 1057798210 /nfs/dbraw/zinc/79/82/10/1057798210.db2.gz FNJLOZJFVJIHNZ-UHFFFAOYSA-N 0 1 303.340 4.441 20 10 DICDMN Cc1ccc(C)n1-c1ccc(-c2cc(O)c(F)c(F)c2F)cn1 ZINC001245637052 1058304421 /nfs/dbraw/zinc/30/44/21/1058304421.db2.gz JLBCYYKZTWFWLJ-UHFFFAOYSA-N 0 1 318.298 4.279 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+](CC2CC2)C2CCCCC2)c1[O-] ZINC001559523376 1059320666 /nfs/dbraw/zinc/32/06/66/1059320666.db2.gz PNUBPEWFOHADLC-UHFFFAOYSA-N 0 1 319.420 4.279 20 10 DICDMN CCC[C@H](NC)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247627167 1059577025 /nfs/dbraw/zinc/57/70/25/1059577025.db2.gz REQHTQZVFXQKAC-KRWDZBQOSA-N 0 1 324.428 4.205 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2cccc(F)c2)c(Cl)c1 ZINC001560317672 1060104850 /nfs/dbraw/zinc/10/48/50/1060104850.db2.gz ZWRBINDDANSBEQ-GFCCVEGCSA-N 0 1 307.796 4.386 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCc2ccccc2F)c(Cl)c1 ZINC001560460766 1060252753 /nfs/dbraw/zinc/25/27/53/1060252753.db2.gz XOLHQYHIHLDXDD-UHFFFAOYSA-N 0 1 307.796 4.216 20 10 DICDMN CC(C)(C)C1CC([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001560486997 1060279710 /nfs/dbraw/zinc/27/97/10/1060279710.db2.gz YKZPPFNLFJCUHT-UHFFFAOYSA-N 0 1 312.251 4.069 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCc2sccc2C1 ZINC001560629604 1060442324 /nfs/dbraw/zinc/44/23/24/1060442324.db2.gz XAUPSPXKPDIGBY-UHFFFAOYSA-N 0 1 311.809 4.195 20 10 DICDMN C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001560671465 1060499358 /nfs/dbraw/zinc/49/93/58/1060499358.db2.gz ZOLDKLSXLDRKJB-SNVBAGLBSA-N 0 1 323.770 4.443 20 10 DICDMN C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001560671465 1060499366 /nfs/dbraw/zinc/49/93/66/1060499366.db2.gz ZOLDKLSXLDRKJB-SNVBAGLBSA-N 0 1 323.770 4.443 20 10 DICDMN CC(C)C[N@@H+](CCc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001560678765 1060515788 /nfs/dbraw/zinc/51/57/88/1060515788.db2.gz PYPVCOXCGQANSB-UHFFFAOYSA-N 0 1 319.395 4.371 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)c(F)cc1[O-] ZINC001560686289 1060531313 /nfs/dbraw/zinc/53/13/13/1060531313.db2.gz WUIAEBJCDLJKDT-UHFFFAOYSA-N 0 1 323.795 4.303 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCc3cccc(C)c3C2)cc1Cl ZINC001560754619 1060621143 /nfs/dbraw/zinc/62/11/43/1060621143.db2.gz NNAWBORNIKJHBI-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCc3cccc(C)c3C2)cc1Cl ZINC001560754619 1060621148 /nfs/dbraw/zinc/62/11/48/1060621148.db2.gz NNAWBORNIKJHBI-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1Cl ZINC001560764802 1060629940 /nfs/dbraw/zinc/62/99/40/1060629940.db2.gz QLLSQQWSDADRDS-GFCCVEGCSA-N 0 1 309.759 4.421 20 10 DICDMN CCC(CC)[N@@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001560862124 1060720636 /nfs/dbraw/zinc/72/06/36/1060720636.db2.gz GWEFNAATADPLRZ-UHFFFAOYSA-N 0 1 314.267 4.474 20 10 DICDMN CCc1cccc(CN2CCc3cccc(Cl)c3C2)c1O ZINC001560880214 1060740594 /nfs/dbraw/zinc/74/05/94/1060740594.db2.gz YSKVFQRDHORCKX-UHFFFAOYSA-N 0 1 301.817 4.166 20 10 DICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cc2cnccc2o1 ZINC001560913784 1060774787 /nfs/dbraw/zinc/77/47/87/1060774787.db2.gz QKTQMBUUMROEQT-JTQLQIEISA-N 0 1 302.761 4.038 20 10 DICDMN CCOc1ccc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2c1 ZINC001250490079 1060845824 /nfs/dbraw/zinc/84/58/24/1060845824.db2.gz QKEDZUYSTRSJJB-UHFFFAOYSA-N 0 1 307.397 4.229 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001561034948 1060888223 /nfs/dbraw/zinc/88/82/23/1060888223.db2.gz IDBUYAPIYBRMOJ-YADGQWAMSA-N 0 1 310.416 4.352 20 10 DICDMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001473273007 1061046120 /nfs/dbraw/zinc/04/61/20/1061046120.db2.gz MFSWXPLSAYHLLX-YVEFUNNKSA-N 0 1 307.409 4.135 20 10 DICDMN Cc1ccc(F)c(CC[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC001462245951 1061050288 /nfs/dbraw/zinc/05/02/88/1061050288.db2.gz IEFXPRLHWHXDJW-UHFFFAOYSA-N 0 1 309.384 4.325 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC001462283058 1061076052 /nfs/dbraw/zinc/07/60/52/1061076052.db2.gz ZNKPFQIWTYSTSV-UHFFFAOYSA-N 0 1 305.780 4.352 20 10 DICDMN Cc1ccc(CN2CCCn3c(cc4ccccc43)C2)c(O)c1 ZINC001462294088 1061084586 /nfs/dbraw/zinc/08/45/86/1061084586.db2.gz JKTDUWNJKIIXRR-UHFFFAOYSA-N 0 1 306.409 4.061 20 10 DICDMN CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001462300147 1061088579 /nfs/dbraw/zinc/08/85/79/1061088579.db2.gz XZBABYIVEQJJBZ-HNNXBMFYSA-N 0 1 321.367 4.262 20 10 DICDMN Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462340801 1061117826 /nfs/dbraw/zinc/11/78/26/1061117826.db2.gz QZNGNSXJZZYJTP-KRWDZBQOSA-N 0 1 321.342 4.455 20 10 DICDMN Cc1ccc(C[N@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1C ZINC001462342381 1061118185 /nfs/dbraw/zinc/11/81/85/1061118185.db2.gz NNJLQUMCDVNCFA-UHFFFAOYSA-N 0 1 307.796 4.434 20 10 DICDMN [O-]c1c(C[NH2+]C[C@H]2CCN2C2CCCCC2)ccc2ccccc21 ZINC001462433907 1061172629 /nfs/dbraw/zinc/17/26/29/1061172629.db2.gz ARGAHAOYUGVYTD-LJQANCHMSA-N 0 1 324.468 4.042 20 10 DICDMN Cc1cc(CN[C@@H]2CCc3cccnc32)c(C)n1-c1ccccc1 ZINC001462505616 1061217217 /nfs/dbraw/zinc/21/72/17/1061217217.db2.gz IWPIMWVNVTXTAZ-HXUWFJFHSA-N 0 1 317.436 4.266 20 10 DICDMN Cc1cccc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)n1 ZINC001473553896 1061242335 /nfs/dbraw/zinc/24/23/35/1061242335.db2.gz SKDZMPHMRBWGNK-UHFFFAOYSA-N 0 1 323.484 4.321 20 10 DICDMN C[C@@H](COCC1CCCCC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001462585841 1061280059 /nfs/dbraw/zinc/28/00/59/1061280059.db2.gz BVZCIKUHYPSGNG-ZDUSSCGKSA-N 0 1 311.853 4.121 20 10 DICDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCCC1 ZINC001462669213 1061328829 /nfs/dbraw/zinc/32/88/29/1061328829.db2.gz SDKLFPKZQSFIPP-ZFWWWQNUSA-N 0 1 324.262 4.071 20 10 DICDMN CCN(C)c1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC001473683312 1061342126 /nfs/dbraw/zinc/34/21/26/1061342126.db2.gz NDNCEHOXGBJNPA-IBGZPJMESA-N 0 1 309.457 4.121 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1F ZINC001474039818 1061586321 /nfs/dbraw/zinc/58/63/21/1061586321.db2.gz YJIYJBDSOSZAII-GFCCVEGCSA-N 0 1 303.352 4.141 20 10 DICDMN CC(C)(C)C[C@@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC001474092571 1061640526 /nfs/dbraw/zinc/64/05/26/1061640526.db2.gz JUHNTCAQBHJUQX-LLVKDONJSA-N 0 1 311.294 4.127 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001474255998 1061824095 /nfs/dbraw/zinc/82/40/95/1061824095.db2.gz CLAFOZUUQKWNPO-CQSZACIVSA-N 0 1 323.396 4.246 20 10 DICDMN Cc1cc(F)c(CNC/C=C/c2ccc(N(C)C)cc2)c(F)c1 ZINC001474278712 1061848279 /nfs/dbraw/zinc/84/82/79/1061848279.db2.gz RSTDXSZVLFISEL-SNAWJCMRSA-N 0 1 316.395 4.142 20 10 DICDMN CCN(Cc1ccccc1Cl)Cc1cc(C)cc(OC)c1O ZINC001474318939 1061892487 /nfs/dbraw/zinc/89/24/87/1061892487.db2.gz KHKOXIMNNVXHSC-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474321152 1061896152 /nfs/dbraw/zinc/89/61/52/1061896152.db2.gz ZVUVSYTUOYHQJE-GJZGRUSLSA-N 0 1 311.853 4.071 20 10 DICDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474350250 1061955733 /nfs/dbraw/zinc/95/57/33/1061955733.db2.gz IGPPTNLHCSPCGE-HNNXBMFYSA-N 0 1 305.368 4.124 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC001474356388 1061972524 /nfs/dbraw/zinc/97/25/24/1061972524.db2.gz CRUJZPRRBZKVIP-UHFFFAOYSA-N 0 1 321.342 4.222 20 10 DICDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474360427 1061986721 /nfs/dbraw/zinc/98/67/21/1061986721.db2.gz PDNGUBNBKULWNJ-GHMZBOCLSA-N 0 1 317.857 4.291 20 10 DICDMN Cc1cc(O)c(CN2CCOc3ccccc3[C@H]2C)cc1Cl ZINC001474363754 1061989899 /nfs/dbraw/zinc/98/98/99/1061989899.db2.gz KZRNDPYDEOXYSO-CYBMUJFWSA-N 0 1 317.816 4.310 20 10 DICDMN Cc1ccc([C@@H](NCc2ccc(C)cc2O)c2ccccn2)cc1 ZINC001474493718 1062174040 /nfs/dbraw/zinc/17/40/40/1062174040.db2.gz XMOLACWSVZTVJV-OAQYLSRUSA-N 0 1 318.420 4.283 20 10 DICDMN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)c(C)c1 ZINC001474495421 1062175956 /nfs/dbraw/zinc/17/59/56/1062175956.db2.gz BEORREXYWXQZAA-CQSZACIVSA-N 0 1 317.379 4.277 20 10 DICDMN Cc1cc2cc(C[NH2+]Cc3ccc(Cl)cc3[O-])ccc2[nH]1 ZINC001474507598 1062192000 /nfs/dbraw/zinc/19/20/00/1062192000.db2.gz QFRZAMTVQOXMOB-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001474551431 1062249449 /nfs/dbraw/zinc/24/94/49/1062249449.db2.gz WPCATWWWNRNMPT-OAHLLOKOSA-N 0 1 317.379 4.222 20 10 DICDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc2O1 ZINC001474559064 1062259825 /nfs/dbraw/zinc/25/98/25/1062259825.db2.gz ZWBMSWDUKHVOSC-UHFFFAOYSA-N 0 1 317.816 4.219 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCc2ccc(F)cc21 ZINC001474607989 1062322738 /nfs/dbraw/zinc/32/27/38/1062322738.db2.gz IGOHQQODYKPEFO-LBPRGKRZSA-N 0 1 319.807 4.347 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCc2ccccc21 ZINC001474613617 1062330155 /nfs/dbraw/zinc/33/01/55/1062330155.db2.gz HNYANBPDFGCRAT-GFCCVEGCSA-N 0 1 319.807 4.347 20 10 DICDMN C[C@H](CSc1ccccc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001474617635 1062338121 /nfs/dbraw/zinc/33/81/21/1062338121.db2.gz XUOOGQQKSHTVRB-CYBMUJFWSA-N 0 1 305.418 4.144 20 10 DICDMN CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C1CCCCC1 ZINC001474646558 1062369857 /nfs/dbraw/zinc/36/98/57/1062369857.db2.gz SZPAFXNZETXIIZ-IBGZPJMESA-N 0 1 313.441 4.230 20 10 DICDMN Cc1cc(O)c(CNCc2cc(O)ccc2Cl)cc1Cl ZINC001474685871 1062416824 /nfs/dbraw/zinc/41/68/24/1062416824.db2.gz FGEZBBZAPNWSRT-UHFFFAOYSA-N 0 1 312.196 4.003 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001474703429 1062429159 /nfs/dbraw/zinc/42/91/59/1062429159.db2.gz DWCVINRJNCXNBS-LLVKDONJSA-N 0 1 320.776 4.113 20 10 DICDMN CN(C)c1cc(NCc2ccc(F)c(F)c2O)ccc1Cl ZINC001474718243 1062442168 /nfs/dbraw/zinc/44/21/68/1062442168.db2.gz YNSVIEZORGEZOM-UHFFFAOYSA-N 0 1 312.747 4.002 20 10 DICDMN C[C@H](Cc1ccccc1F)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001255840796 1062627636 /nfs/dbraw/zinc/62/76/36/1062627636.db2.gz JEBCBLROVNVXSM-CQSZACIVSA-N 0 1 309.384 4.405 20 10 DICDMN C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001255864138 1062642268 /nfs/dbraw/zinc/64/22/68/1062642268.db2.gz WSUVTLVICICTRM-CQSZACIVSA-N 0 1 309.384 4.405 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC001461599014 1063603913 /nfs/dbraw/zinc/60/39/13/1063603913.db2.gz DPZRDHDOXDAXQN-GJZGRUSLSA-N 0 1 301.817 4.247 20 10 DICDMN Clc1cnc(S[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC001307377632 1065361771 /nfs/dbraw/zinc/36/17/71/1065361771.db2.gz PTXHHLXDVUMKLB-GFCCVEGCSA-N 0 1 310.875 4.163 20 10 DICDMN Cc1cccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c1C ZINC001308261221 1065863018 /nfs/dbraw/zinc/86/30/18/1065863018.db2.gz PJFJONVGSHEYEC-CQSZACIVSA-N 0 1 318.411 4.498 20 10 DICDMN Cc1c2ccccc2oc1CNCc1ccc(N(C)C)c(F)c1 ZINC001308265511 1065865367 /nfs/dbraw/zinc/86/53/67/1065865367.db2.gz FYKFGZVRIRNGQV-UHFFFAOYSA-N 0 1 312.388 4.236 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](CC(C)C)C2CC2)c1 ZINC001308581137 1066096567 /nfs/dbraw/zinc/09/65/67/1066096567.db2.gz BAIGHMSVEWVSHX-UHFFFAOYSA-N 0 1 312.251 4.084 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)Cc2cccs2)cc1Cl ZINC001308594808 1066107273 /nfs/dbraw/zinc/10/72/73/1066107273.db2.gz MHKVLJKXHOLXNK-LBPRGKRZSA-N 0 1 309.862 4.479 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)Cc2cccs2)cc1Cl ZINC001308594808 1066107276 /nfs/dbraw/zinc/10/72/76/1066107276.db2.gz MHKVLJKXHOLXNK-LBPRGKRZSA-N 0 1 309.862 4.479 20 10 DICDMN C[C@H]1c2ccccc2OCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001308611858 1066118013 /nfs/dbraw/zinc/11/80/13/1066118013.db2.gz KMNREUPSKXHVTP-NSHDSACASA-N 0 1 321.779 4.140 20 10 DICDMN C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001308611858 1066118021 /nfs/dbraw/zinc/11/80/21/1066118021.db2.gz KMNREUPSKXHVTP-NSHDSACASA-N 0 1 321.779 4.140 20 10 DICDMN C[C@H]1c2ccccc2OCCN1Cc1cc(Cl)cc(F)c1O ZINC001308611858 1066118025 /nfs/dbraw/zinc/11/80/25/1066118025.db2.gz KMNREUPSKXHVTP-NSHDSACASA-N 0 1 321.779 4.140 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC001308631542 1066127459 /nfs/dbraw/zinc/12/74/59/1066127459.db2.gz FQRUQBUINMWZMQ-UHFFFAOYSA-N 0 1 317.379 4.473 20 10 DICDMN Cc1ccc(C[N@@H+](Cc2ccc(F)c(F)c2[O-])C(C)C)s1 ZINC001308630943 1066127687 /nfs/dbraw/zinc/12/76/87/1066127687.db2.gz HJIBFTJHOYJEER-UHFFFAOYSA-N 0 1 311.397 4.451 20 10 DICDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)[C@H]2CCCC[C@H]12 ZINC001308637664 1066131817 /nfs/dbraw/zinc/13/18/17/1066131817.db2.gz PLYFWTLMQUYJJC-JMSVASOKSA-N 0 1 324.262 4.165 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)[C@H]2CCCC[C@H]12 ZINC001308637664 1066131819 /nfs/dbraw/zinc/13/18/19/1066131819.db2.gz PLYFWTLMQUYJJC-JMSVASOKSA-N 0 1 324.262 4.165 20 10 DICDMN CN(C)c1cc(F)c(CN(C)[C@H]2CCc3ccccc32)cc1F ZINC001308661141 1066141647 /nfs/dbraw/zinc/14/16/47/1066141647.db2.gz YFDCFWGQOORJBV-SFHVURJKSA-N 0 1 316.395 4.150 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1Cl ZINC001308686451 1066154702 /nfs/dbraw/zinc/15/47/02/1066154702.db2.gz PNIPWBDWOMTRRA-HNNXBMFYSA-N 0 1 323.864 4.326 20 10 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[O-]c1c(C[N@H+]2CCC[C@H]2c2ccncc2)ccc2ccccc21 ZINC000816610640 1042073474 /nfs/dbraw/zinc/07/34/74/1042073474.db2.gz SBDLNATZGNBOAR-IBGZPJMESA-N 0 1 304.393 4.278 20 10 DICDMN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608788 1042073590 /nfs/dbraw/zinc/07/35/90/1042073590.db2.gz JOOGWWKMFIIWLZ-QAPCUYQASA-N 0 1 313.441 4.061 20 10 DICDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608788 1042073595 /nfs/dbraw/zinc/07/35/95/1042073595.db2.gz JOOGWWKMFIIWLZ-QAPCUYQASA-N 0 1 313.441 4.061 20 10 DICDMN CN(C)c1ccccc1C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816613314 1042073789 /nfs/dbraw/zinc/07/37/89/1042073789.db2.gz PUXHABIWMDGJKW-UHFFFAOYSA-N 0 1 320.436 4.243 20 10 DICDMN CN(C)c1ccccc1C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816613314 1042073793 /nfs/dbraw/zinc/07/37/93/1042073793.db2.gz PUXHABIWMDGJKW-UHFFFAOYSA-N 0 1 320.436 4.243 20 10 DICDMN CC1(C)CC(CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000816682010 1042077341 /nfs/dbraw/zinc/07/73/41/1042077341.db2.gz 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C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185532062 1043202535 /nfs/dbraw/zinc/20/25/35/1043202535.db2.gz ZGEHSNLZTAGABE-CXAGYDPISA-N 0 1 319.832 4.210 20 10 DICDMN C[C@H](NCc1nc(C2CC2)cs1)c1cc(Cl)ccc1O ZINC000186117265 1043214696 /nfs/dbraw/zinc/21/46/96/1043214696.db2.gz RTGYXONBPQBCBK-VIFPVBQESA-N 0 1 308.834 4.230 20 10 DICDMN C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(Br)cc1[O-] ZINC000760039202 1043220173 /nfs/dbraw/zinc/22/01/73/1043220173.db2.gz DERNIJWXSSKUIB-IINYFYTJSA-N 0 1 310.235 4.138 20 10 DICDMN Cc1c(N[C@@H](C)c2ccc(F)c(F)c2O)cnn1C1CCCC1 ZINC000193383734 1043284374 /nfs/dbraw/zinc/28/43/74/1043284374.db2.gz GPEMEMUCKYUIIV-JTQLQIEISA-N 0 1 321.371 4.464 20 10 DICDMN Cc1c(N[C@H](C)c2ccc(F)c(F)c2O)cnn1C1CCCC1 ZINC000193383746 1043284769 /nfs/dbraw/zinc/28/47/69/1043284769.db2.gz GPEMEMUCKYUIIV-SNVBAGLBSA-N 0 1 321.371 4.464 20 10 DICDMN Cc1nccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1Cl ZINC000350290683 1043541460 /nfs/dbraw/zinc/54/14/60/1043541460.db2.gz 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303.352 4.398 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(-c2ccccc2)no1 ZINC000924901640 1045210157 /nfs/dbraw/zinc/21/01/57/1045210157.db2.gz SKBBZFNIVOQALO-CQSZACIVSA-N 0 1 320.392 4.127 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000528005413 1045293662 /nfs/dbraw/zinc/29/36/62/1045293662.db2.gz ZXFRWXJLEAEZKK-MAUKXSAKSA-N 0 1 324.468 4.213 20 10 DICDMN C[C@@H]([NH2+]CCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000783647949 1045348669 /nfs/dbraw/zinc/34/86/69/1045348669.db2.gz WMZFYEFWBBTMHU-GFCCVEGCSA-N 0 1 320.230 4.048 20 10 DICDMN C[C@@H]1CCCN(c2ccc(CNCc3ccoc3)cc2Cl)C1 ZINC000800275352 1045601085 /nfs/dbraw/zinc/60/10/85/1045601085.db2.gz AFSJBQBFUCOEHD-CQSZACIVSA-N 0 1 318.848 4.459 20 10 DICDMN C[C@H]1CCCN(c2ccc(CNCc3ccco3)cc2Cl)C1 ZINC000800276595 1045601826 /nfs/dbraw/zinc/60/18/26/1045601826.db2.gz OZQZDHRKXNRMMM-AWEZNQCLSA-N 0 1 318.848 4.459 20 10 DICDMN Oc1ccc(-c2ccccc2)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000783674203 1045641516 /nfs/dbraw/zinc/64/15/16/1045641516.db2.gz VRVXJKUTYLBKIT-SFHVURJKSA-N 0 1 319.408 4.119 20 10 DICDMN Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000800992855 1045678231 /nfs/dbraw/zinc/67/82/31/1045678231.db2.gz UIYWYPDUZYJPRY-SCLBCKFNSA-N 0 1 319.832 4.047 20 10 DICDMN CCCCN(Cc1ccccc1O)Cc1cccnc1Cl ZINC000801595807 1045748395 /nfs/dbraw/zinc/74/83/95/1045748395.db2.gz JDXXMNVAHQQMBV-UHFFFAOYSA-N 0 1 304.821 4.243 20 10 DICDMN CCCC[N@H+](CCCC1CCOCC1)Cc1ccccc1[O-] ZINC000801596728 1045750288 /nfs/dbraw/zinc/75/02/88/1045750288.db2.gz LZXJOOPBHLBPJM-UHFFFAOYSA-N 0 1 305.462 4.201 20 10 DICDMN CCCC[N@@H+](CCCC1CCOCC1)Cc1ccccc1[O-] ZINC000801596728 1045750304 /nfs/dbraw/zinc/75/03/04/1045750304.db2.gz LZXJOOPBHLBPJM-UHFFFAOYSA-N 0 1 305.462 4.201 20 10 DICDMN CCCCN(Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC000801596780 1045752207 /nfs/dbraw/zinc/75/22/07/1045752207.db2.gz OUIJUYQIKOZZAI-UHFFFAOYSA-N 0 1 323.440 4.081 20 10 DICDMN CN(Cc1ccco1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753540827 1045758215 /nfs/dbraw/zinc/75/82/15/1045758215.db2.gz VMJFLTHRDOWVLM-UHFFFAOYSA-N 0 1 323.392 4.196 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2c1c(F)ccc2F ZINC000753857044 1045813910 /nfs/dbraw/zinc/81/39/10/1045813910.db2.gz CVMPCNQFWYPLKD-GOSISDBHSA-N 0 1 316.395 4.116 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001137837835 1045981609 /nfs/dbraw/zinc/98/16/09/1045981609.db2.gz WJDVONZACHISQD-QGZVFWFLSA-N 0 1 303.352 4.398 20 10 DICDMN Cc1cc(CN(C)Cc2ccc(C)nc2)c(C)n1-c1ccccc1 ZINC001137859328 1045987530 /nfs/dbraw/zinc/98/75/30/1045987530.db2.gz UABBLEJVRUGBMI-UHFFFAOYSA-N 0 1 319.452 4.430 20 10 DICDMN CCCC[N@H+](CCCc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000802657970 1046029309 /nfs/dbraw/zinc/02/93/09/1046029309.db2.gz XNVVIBHODJPGKW-UHFFFAOYSA-N 0 1 312.457 4.331 20 10 DICDMN CCCC[N@@H+](CCCc1ccc(C)nc1)Cc1ccccc1[O-] ZINC000802657970 1046029324 /nfs/dbraw/zinc/02/93/24/1046029324.db2.gz XNVVIBHODJPGKW-UHFFFAOYSA-N 0 1 312.457 4.331 20 10 DICDMN C[C@]1(c2ccccc2)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755932120 1046030917 /nfs/dbraw/zinc/03/09/17/1046030917.db2.gz RCDVFAKTQMCZHF-NRFANRHFSA-N 0 1 318.420 4.104 20 10 DICDMN C[C@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755932120 1046030922 /nfs/dbraw/zinc/03/09/22/1046030922.db2.gz RCDVFAKTQMCZHF-NRFANRHFSA-N 0 1 318.420 4.104 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000756147754 1046055396 /nfs/dbraw/zinc/05/53/96/1046055396.db2.gz UEEHWLGCCWTWTE-VIFPVBQESA-N 0 1 306.258 4.026 20 10 DICDMN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000756381099 1046074130 /nfs/dbraw/zinc/07/41/30/1046074130.db2.gz WXBDPWFXNMETLX-GHMZBOCLSA-N 0 1 324.218 4.030 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)ccc1[O-] ZINC000756379308 1046074859 /nfs/dbraw/zinc/07/48/59/1046074859.db2.gz NCHKTSQWDAOSPM-WDEREUQCSA-N 0 1 324.218 4.030 20 10 DICDMN C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000756419462 1046078920 /nfs/dbraw/zinc/07/89/20/1046078920.db2.gz UQPHAYIFUHABKS-CVEARBPZSA-N 0 1 312.457 4.070 20 10 DICDMN COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756494768 1046091497 /nfs/dbraw/zinc/09/14/97/1046091497.db2.gz GSHAYIWORYRFRO-CYBMUJFWSA-N 0 1 317.404 4.168 20 10 DICDMN CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756563024 1046099914 /nfs/dbraw/zinc/09/99/14/1046099914.db2.gz LAZKFDODJIVUHV-DOTOQJQBSA-N 0 1 312.457 4.070 20 10 DICDMN CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000756572550 1046101885 /nfs/dbraw/zinc/10/18/85/1046101885.db2.gz GPHVHWBQWUOETD-NEPJUHHUSA-N 0 1 307.825 4.235 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001138127756 1046102209 /nfs/dbraw/zinc/10/22/09/1046102209.db2.gz ONNSJKHITUDNEN-QGZVFWFLSA-N 0 1 303.352 4.398 20 10 DICDMN [O-]c1c(F)cccc1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001138122671 1046102920 /nfs/dbraw/zinc/10/29/20/1046102920.db2.gz UACPBIWRGQBNLZ-UHFFFAOYSA-N 0 1 322.383 4.129 20 10 DICDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000756627123 1046111656 /nfs/dbraw/zinc/11/16/56/1046111656.db2.gz QTDLBGISAOKOCW-GUYCJALGSA-N 0 1 301.430 4.257 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc2ccccc2c1[O-] ZINC000756637021 1046114677 /nfs/dbraw/zinc/11/46/77/1046114677.db2.gz YVQVACSLPUSPOB-HUUCEWRRSA-N 0 1 306.409 4.395 20 10 DICDMN COCCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000756648156 1046116234 /nfs/dbraw/zinc/11/62/34/1046116234.db2.gz ZCADYHIGVBLDTB-UKRRQHHQSA-N 0 1 321.436 4.266 20 10 DICDMN COCCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000756648154 1046116526 /nfs/dbraw/zinc/11/65/26/1046116526.db2.gz ZCADYHIGVBLDTB-HIFRSBDPSA-N 0 1 321.436 4.266 20 10 DICDMN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000756663504 1046117469 /nfs/dbraw/zinc/11/74/69/1046117469.db2.gz JWHFBAJKMUNNDO-QOKNQOGYSA-N 0 1 313.441 4.400 20 10 DICDMN C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756661748 1046117851 /nfs/dbraw/zinc/11/78/51/1046117851.db2.gz VEZYNWWXTIUZGO-MLGOLLRUSA-N 0 1 311.853 4.028 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756659868 1046118003 /nfs/dbraw/zinc/11/80/03/1046118003.db2.gz GZBDQLKKYZLPDZ-DAXOMENPSA-N 0 1 321.436 4.001 20 10 DICDMN c1coc(C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C2CC2)c1 ZINC001138220976 1046123223 /nfs/dbraw/zinc/12/32/23/1046123223.db2.gz VUNTVVWTUNTOOM-UHFFFAOYSA-N 0 1 310.441 4.435 20 10 DICDMN c1coc(CN(Cc2ccc(N3CCCCC3)cc2)C2CC2)c1 ZINC001138220976 1046123231 /nfs/dbraw/zinc/12/32/31/1046123231.db2.gz VUNTVVWTUNTOOM-UHFFFAOYSA-N 0 1 310.441 4.435 20 10 DICDMN C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000756755601 1046125474 /nfs/dbraw/zinc/12/54/74/1046125474.db2.gz BGODSHPGSZNUOP-WBMJQRKESA-N 0 1 311.853 4.292 20 10 DICDMN Cc1cccc(NCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000756747503 1046126070 /nfs/dbraw/zinc/12/60/70/1046126070.db2.gz PQNIXQRCOOHFAL-OAHLLOKOSA-N 0 1 321.424 4.012 20 10 DICDMN C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cc(Cl)ccc1[O-] ZINC000756757742 1046127693 /nfs/dbraw/zinc/12/76/93/1046127693.db2.gz BJCXBNQDCDMTEO-OTYXRUKQSA-N 0 1 324.207 4.483 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(F)c1 ZINC000756759709 1046127717 /nfs/dbraw/zinc/12/77/17/1046127717.db2.gz XMJKIISWNYBTQV-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CO2 ZINC000756758468 1046128516 /nfs/dbraw/zinc/12/85/16/1046128516.db2.gz FSYKVWXUGYHKGR-XHDPSFHLSA-N 0 1 303.789 4.138 20 10 DICDMN Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756857480 1046146011 /nfs/dbraw/zinc/14/60/11/1046146011.db2.gz JYKWALSYJLXNEG-LBPRGKRZSA-N 0 1 320.383 4.214 20 10 DICDMN Cc1ccc(O)c([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)c1 ZINC000757613547 1046193006 /nfs/dbraw/zinc/19/30/06/1046193006.db2.gz MNLIUZQVRWLQMV-CYBMUJFWSA-N 0 1 302.393 4.074 20 10 DICDMN Cc1ccc([C@H](C)Nc2ccc(CN(C)C)c(F)c2)c(O)c1 ZINC000757614619 1046193093 /nfs/dbraw/zinc/19/30/93/1046193093.db2.gz PZXSTBWCOMBCPO-ZDUSSCGKSA-N 0 1 302.393 4.074 20 10 DICDMN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903335734 1046249355 /nfs/dbraw/zinc/24/93/55/1046249355.db2.gz STTXFNLKJLHWEC-PIGZYNQJSA-N 0 1 302.805 4.243 20 10 DICDMN CC[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(Cl)ccc1[O-] ZINC000903364153 1046256597 /nfs/dbraw/zinc/25/65/97/1046256597.db2.gz UWMAFHUAGATXKT-XGWLTEMNSA-N 0 1 321.848 4.046 20 10 DICDMN C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CCC1 ZINC000832712527 1046378845 /nfs/dbraw/zinc/37/88/45/1046378845.db2.gz GJKWZLZZKDJPSK-OAHLLOKOSA-N 0 1 314.212 4.062 20 10 DICDMN CC[N@@H+](Cc1ccc2cc(O)ccc2c1)Cc1ccccc1O ZINC001139339941 1046433006 /nfs/dbraw/zinc/43/30/06/1046433006.db2.gz CSFMZYMLNFDGGD-UHFFFAOYSA-N 0 1 307.393 4.273 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000781909012 1046485741 /nfs/dbraw/zinc/48/57/41/1046485741.db2.gz NQVFLQXDAODZBX-LLVKDONJSA-N 0 1 312.251 4.084 20 10 DICDMN C[N@@H+](Cc1ccc(-c2cccnc2)cc1)Cc1ccccc1O ZINC001139644439 1046493452 /nfs/dbraw/zinc/49/34/52/1046493452.db2.gz HGYMNRZYEHQQSH-UHFFFAOYSA-N 0 1 304.393 4.086 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139685812 1046499499 /nfs/dbraw/zinc/49/94/99/1046499499.db2.gz XYMJFEGTWPXLQU-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN CCOc1ccc(O)c(C[N@@H+]([C@H](C)c2ccco2)C2CC2)c1 ZINC000092484131 1046521593 /nfs/dbraw/zinc/52/15/93/1046521593.db2.gz BOCPFKHCDSHEAN-CYBMUJFWSA-N 0 1 301.386 4.110 20 10 DICDMN Cc1cc(N(C)C)ccc1CNCc1ccc(Cl)cc1F ZINC000782529033 1046533494 /nfs/dbraw/zinc/53/34/94/1046533494.db2.gz DDIMDMXCNWHLPH-UHFFFAOYSA-N 0 1 306.812 4.143 20 10 DICDMN COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841744256 1046602196 /nfs/dbraw/zinc/60/21/96/1046602196.db2.gz GNDLQHCFWOBNGZ-RYUDHWBXSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1cc(CN2CCc3ncsc3C2)c(O)c(C(C)(C)C)c1 ZINC000783544388 1046605228 /nfs/dbraw/zinc/60/52/28/1046605228.db2.gz ZMGUVVUBDXWLJZ-UHFFFAOYSA-N 0 1 316.470 4.013 20 10 DICDMN CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746278 1046605578 /nfs/dbraw/zinc/60/55/78/1046605578.db2.gz XGSLAZAWRNFVLX-LBPRGKRZSA-N 0 1 320.820 4.079 20 10 DICDMN CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746271 1046605860 /nfs/dbraw/zinc/60/58/60/1046605860.db2.gz XGJYQVXABIHCQE-GFCCVEGCSA-N 0 1 305.805 4.295 20 10 DICDMN COc1cccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)c1 ZINC001140341594 1046667475 /nfs/dbraw/zinc/66/74/75/1046667475.db2.gz YLJVRZMUZZBLJC-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)c1 ZINC001140341594 1046667482 /nfs/dbraw/zinc/66/74/82/1046667482.db2.gz YLJVRZMUZZBLJC-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841762972 1046695598 /nfs/dbraw/zinc/69/55/98/1046695598.db2.gz LBHMKRJONVARIC-RYUDHWBXSA-N 0 1 307.825 4.235 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)c2c1c(F)ccc2[O-] ZINC000834883521 1046696307 /nfs/dbraw/zinc/69/63/07/1046696307.db2.gz QPCOOWZFKVHBPD-NFAWXSAZSA-N 0 1 319.420 4.019 20 10 DICDMN C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000834884564 1046696657 /nfs/dbraw/zinc/69/66/57/1046696657.db2.gz NNWRIUGOAMKMQE-UFBFGSQYSA-N 0 1 308.636 4.280 20 10 DICDMN CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000834885356 1046698129 /nfs/dbraw/zinc/69/81/29/1046698129.db2.gz IVTAOUOPWKRKAR-OGHNNQOOSA-N 0 1 311.853 4.147 20 10 DICDMN CCCc1ncc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])o1 ZINC000834901073 1046712614 /nfs/dbraw/zinc/71/26/14/1046712614.db2.gz WJEQISUHHJTWCX-CQSZACIVSA-N 0 1 308.809 4.227 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000834911115 1046718014 /nfs/dbraw/zinc/71/80/14/1046718014.db2.gz RSOHKPVWDJOOED-GJZGRUSLSA-N 0 1 313.441 4.401 20 10 DICDMN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)c1 ZINC001140464642 1046735413 /nfs/dbraw/zinc/73/54/13/1046735413.db2.gz YLDGKHGQEKXNFX-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464642 1046735425 /nfs/dbraw/zinc/73/54/25/1046735425.db2.gz YLDGKHGQEKXNFX-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464642 1046735438 /nfs/dbraw/zinc/73/54/38/1046735438.db2.gz YLDGKHGQEKXNFX-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)cc1 ZINC001140464471 1046735883 /nfs/dbraw/zinc/73/58/83/1046735883.db2.gz RALDTOHBLKQKOM-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001140464471 1046735899 /nfs/dbraw/zinc/73/58/99/1046735899.db2.gz RALDTOHBLKQKOM-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001140464471 1046735915 /nfs/dbraw/zinc/73/59/15/1046735915.db2.gz RALDTOHBLKQKOM-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1O ZINC001140464255 1046736852 /nfs/dbraw/zinc/73/68/52/1046736852.db2.gz IRBXYAIWCNVEFX-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140464255 1046736867 /nfs/dbraw/zinc/73/68/67/1046736867.db2.gz IRBXYAIWCNVEFX-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cc1[O-] ZINC001140464255 1046736885 /nfs/dbraw/zinc/73/68/85/1046736885.db2.gz IRBXYAIWCNVEFX-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])cc1 ZINC001140466625 1046737708 /nfs/dbraw/zinc/73/77/08/1046737708.db2.gz ILUDCZGQKDDEBQ-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])cc1 ZINC001140466625 1046737724 /nfs/dbraw/zinc/73/77/24/1046737724.db2.gz ILUDCZGQKDDEBQ-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])c1 ZINC001140466140 1046739294 /nfs/dbraw/zinc/73/92/94/1046739294.db2.gz YNBNMGQDNCHHOB-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])c1 ZINC001140466140 1046739305 /nfs/dbraw/zinc/73/93/05/1046739305.db2.gz YNBNMGQDNCHHOB-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001140464661 1046739375 /nfs/dbraw/zinc/73/93/75/1046739375.db2.gz ZDUNOJZRJUCNSA-UHFFFAOYSA-N 0 1 317.816 4.131 20 10 DICDMN CC[C@@](C)(NC/C=C/c1ccc(N(C)C)cc1)c1nccs1 ZINC000835040611 1046747303 /nfs/dbraw/zinc/74/73/03/1046747303.db2.gz QMHIQIXUUYNTCY-IPLHWJFFSA-N 0 1 315.486 4.137 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001140583860 1046792861 /nfs/dbraw/zinc/79/28/61/1046792861.db2.gz WKRQNAWITXXYFH-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001140583255 1046793362 /nfs/dbraw/zinc/79/33/62/1046793362.db2.gz BMYIPGQMUBOWET-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN Cc1c(O)ccc(CN2CCC[C@H]2c2cc(F)ccc2F)c1O ZINC001140746210 1046882648 /nfs/dbraw/zinc/88/26/48/1046882648.db2.gz WAPUSUDBHAKHSA-INIZCTEOSA-N 0 1 319.351 4.022 20 10 DICDMN C[N@@H+](Cc1cc(Cl)c([O-])c(Cl)c1)Cc1ccccc1O ZINC001140833429 1046923240 /nfs/dbraw/zinc/92/32/40/1046923240.db2.gz VQYVPYKLBDDIJE-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN CCC[N@@H+](CCSc1ccccc1)Cc1ccccc1O ZINC000303663115 1046941993 /nfs/dbraw/zinc/94/19/93/1046941993.db2.gz DSJDTHKVTAHSGD-UHFFFAOYSA-N 0 1 301.455 4.397 20 10 DICDMN Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3C)C2)c(O)c1 ZINC001140949583 1046957880 /nfs/dbraw/zinc/95/78/80/1046957880.db2.gz FLRIZEMONKZBEN-GOSISDBHSA-N 0 1 311.425 4.052 20 10 DICDMN c1cc2c(s1)CCN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141075521 1046998559 /nfs/dbraw/zinc/99/85/59/1046998559.db2.gz SOFUKCIADITGOJ-UHFFFAOYSA-N 0 1 324.493 4.005 20 10 DICDMN c1coc(CN(Cc2cc3c4c(c2)CCCN4CCC3)C2CC2)c1 ZINC001141078501 1047001571 /nfs/dbraw/zinc/00/15/71/1047001571.db2.gz YLYROLZKLIIIBF-UHFFFAOYSA-N 0 1 322.452 4.143 20 10 DICDMN CN(Cc1cc(Cl)cc(Cl)c1)Cc1cc(O)ccc1O ZINC001141163317 1047031711 /nfs/dbraw/zinc/03/17/11/1047031711.db2.gz ZMOGSEZOCYYSQZ-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN Cc1csc(C(C)(C)NCc2ccc(N3CCCC3)cc2)n1 ZINC001116082180 1047105828 /nfs/dbraw/zinc/10/58/28/1047105828.db2.gz BJIUUZJILDKHRD-UHFFFAOYSA-N 0 1 315.486 4.077 20 10 DICDMN CC[N@@H+](Cc1ccc2cc(F)ccc2n1)Cc1ccccc1O ZINC001141650756 1047248288 /nfs/dbraw/zinc/24/82/88/1047248288.db2.gz GXPNXIXAYVHNCC-UHFFFAOYSA-N 0 1 310.372 4.102 20 10 DICDMN CCc1nocc1CN(C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000840087927 1047288078 /nfs/dbraw/zinc/28/80/78/1047288078.db2.gz DUYZNQVVWXRSTH-UHFFFAOYSA-N 0 1 316.445 4.181 20 10 DICDMN C[C@H](CCOCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000389905846 1047293901 /nfs/dbraw/zinc/29/39/01/1047293901.db2.gz GPIAOQFLCBFWBK-CQSZACIVSA-N 0 1 319.832 4.131 20 10 DICDMN C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc2ccccc2c1[O-] ZINC000390166477 1047295817 /nfs/dbraw/zinc/29/58/17/1047295817.db2.gz NGWBZLYHMWTBMJ-OAHLLOKOSA-N 0 1 313.441 4.281 20 10 DICDMN C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc2ccccc2c1[O-] ZINC000391185312 1047303685 /nfs/dbraw/zinc/30/36/85/1047303685.db2.gz MOCHSFPGZGUTIV-HNNXBMFYSA-N 0 1 312.457 4.070 20 10 DICDMN COCC1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000840882533 1047353282 /nfs/dbraw/zinc/35/32/82/1047353282.db2.gz WFJFFCLWJFGFKQ-UQPPLGOBSA-N 0 1 313.441 4.401 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000840942145 1047363797 /nfs/dbraw/zinc/36/37/97/1047363797.db2.gz UGRFAMMCHLRTFE-JTQLQIEISA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)c(Cl)c1 ZINC000840936618 1047361668 /nfs/dbraw/zinc/36/16/68/1047361668.db2.gz MRASLDCJJAURCJ-ZIAGYGMSSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1nc([C@H]2CCCN2Cc2ccc(N(C)C)cc2C)cs1 ZINC000840936714 1047361816 /nfs/dbraw/zinc/36/18/16/1047361816.db2.gz DBHQEINVHSKQGN-GOSISDBHSA-N 0 1 315.486 4.163 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000840942145 1047363786 /nfs/dbraw/zinc/36/37/86/1047363786.db2.gz UGRFAMMCHLRTFE-JTQLQIEISA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000840946025 1047364236 /nfs/dbraw/zinc/36/42/36/1047364236.db2.gz GFIDMEXETUFFOO-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000840946025 1047364246 /nfs/dbraw/zinc/36/42/46/1047364246.db2.gz GFIDMEXETUFFOO-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841744466 1047446997 /nfs/dbraw/zinc/44/69/97/1047446997.db2.gz OJKWJNHBNYGLOH-IAQYHMDHSA-N 0 1 324.877 4.061 20 10 DICDMN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841744353 1047447255 /nfs/dbraw/zinc/44/72/55/1047447255.db2.gz HBKMZAJHMZVVCI-LBPRGKRZSA-N 0 1 320.820 4.079 20 10 DICDMN CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747856 1047448172 /nfs/dbraw/zinc/44/81/72/1047448172.db2.gz FFFZITQXIUBTCV-NWDGAFQWSA-N 0 1 304.821 4.415 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1c(C)nn(C)c1C ZINC000841748513 1047448448 /nfs/dbraw/zinc/44/84/48/1047448448.db2.gz ADNHHLTVTVVSJN-ZUZCIYMTSA-N 0 1 321.852 4.198 20 10 DICDMN COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841744258 1047448488 /nfs/dbraw/zinc/44/84/88/1047448488.db2.gz GNDLQHCFWOBNGZ-VXGBXAGGSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Cl)cc1[O-] ZINC000841747999 1047448657 /nfs/dbraw/zinc/44/86/57/1047448657.db2.gz VHKVRHVEXOMMJN-MEBBXXQBSA-N 0 1 303.789 4.089 20 10 DICDMN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744189 1047448818 /nfs/dbraw/zinc/44/88/18/1047448818.db2.gz MSJBCFCDSKSZKP-RYUDHWBXSA-N 0 1 305.805 4.466 20 10 DICDMN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744188 1047448944 /nfs/dbraw/zinc/44/89/44/1047448944.db2.gz MSJBCFCDSKSZKP-NWDGAFQWSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1[O-] ZINC000841751134 1047450102 /nfs/dbraw/zinc/45/01/02/1047450102.db2.gz LFMDUKHPVFNFBK-GFCCVEGCSA-N 0 1 319.836 4.208 20 10 DICDMN C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1O ZINC000841751134 1047450105 /nfs/dbraw/zinc/45/01/05/1047450105.db2.gz LFMDUKHPVFNFBK-GFCCVEGCSA-N 0 1 319.836 4.208 20 10 DICDMN C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841750239 1047450160 /nfs/dbraw/zinc/45/01/60/1047450160.db2.gz WEPOQWRZRHZPCZ-KPZWWZAWSA-N 0 1 317.816 4.010 20 10 DICDMN CCCCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c(C)n1 ZINC000841752993 1047452584 /nfs/dbraw/zinc/45/25/84/1047452584.db2.gz WUYUDTGOYMZMKM-ZDUSSCGKSA-N 0 1 321.852 4.201 20 10 DICDMN CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758484 1047453985 /nfs/dbraw/zinc/45/39/85/1047453985.db2.gz GUFQRWDBJGNQIW-CYBMUJFWSA-N 0 1 318.848 4.353 20 10 DICDMN CCOc1ccc(O)c(CNC2(c3ccccc3Cl)CC2)c1 ZINC000842724615 1047499186 /nfs/dbraw/zinc/49/91/86/1047499186.db2.gz ADFIGZGVJAMBFO-UHFFFAOYSA-N 0 1 317.816 4.223 20 10 DICDMN COc1ccccc1C1([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000842902153 1047512217 /nfs/dbraw/zinc/51/22/17/1047512217.db2.gz MESZZGDUDSAKMP-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN CC(C)(C)c1cccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001143104571 1047532017 /nfs/dbraw/zinc/53/20/17/1047532017.db2.gz VITIUMWNHVSIGI-WBVHZDCISA-N 0 1 315.457 4.023 20 10 DICDMN CC(C)(C)c1cccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001143104569 1047532135 /nfs/dbraw/zinc/53/21/35/1047532135.db2.gz VITIUMWNHVSIGI-RDJZCZTQSA-N 0 1 315.457 4.023 20 10 DICDMN Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)cc1C ZINC001157726834 1047751753 /nfs/dbraw/zinc/75/17/53/1047751753.db2.gz BCNGLDQMGZAHHS-UHFFFAOYSA-N 0 1 313.788 4.218 20 10 DICDMN C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000927035073 1047765079 /nfs/dbraw/zinc/76/50/79/1047765079.db2.gz ZYUUVIWTHYTHJX-IPYPFGDCSA-N 0 1 301.455 4.480 20 10 DICDMN CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1cc(Cl)ccc1[O-] ZINC000927069708 1047795432 /nfs/dbraw/zinc/79/54/32/1047795432.db2.gz MPCMMOVSNXQIFS-DOTOQJQBSA-N 0 1 321.852 4.217 20 10 DICDMN CC(C)c1ccc(O)c(CNCc2cc(O)ccc2Cl)c1 ZINC001183532547 1047943124 /nfs/dbraw/zinc/94/31/24/1047943124.db2.gz DBUSNFCZHQLCQZ-UHFFFAOYSA-N 0 1 305.805 4.164 20 10 DICDMN CC(C)c1ccc(O)c(CNCc2c(F)cc(F)cc2F)c1 ZINC001183738883 1047961155 /nfs/dbraw/zinc/96/11/55/1047961155.db2.gz JHLPTXJKJNKVOZ-UHFFFAOYSA-N 0 1 309.331 4.223 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2CCc3cc(F)ccc32)ccc2ccccc21 ZINC001184135723 1047999408 /nfs/dbraw/zinc/99/94/08/1047999408.db2.gz USWQHWCXVNWCSS-LJQANCHMSA-N 0 1 307.368 4.462 20 10 DICDMN CCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCCc2cccnc21 ZINC000775994198 1048079826 /nfs/dbraw/zinc/07/98/26/1048079826.db2.gz IRVKEMMKBLRDMN-QGZVFWFLSA-N 0 1 314.404 4.216 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000776012417 1048088059 /nfs/dbraw/zinc/08/80/59/1048088059.db2.gz GPRJIEABSWTADS-ONGXEEELSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013772 1048089626 /nfs/dbraw/zinc/08/96/26/1048089626.db2.gz OFOWCYOZAOIYDA-SKDRFNHKSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013772 1048089642 /nfs/dbraw/zinc/08/96/42/1048089642.db2.gz OFOWCYOZAOIYDA-SKDRFNHKSA-N 0 1 307.743 4.208 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000776017904 1048091096 /nfs/dbraw/zinc/09/10/96/1048091096.db2.gz BRXCRDCTAIGLOU-UHFFFAOYSA-N 0 1 305.780 4.006 20 10 DICDMN CCC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000774816465 1048124290 /nfs/dbraw/zinc/12/42/90/1048124290.db2.gz YMGUYLRBUAAKMX-SFHVURJKSA-N 0 1 315.388 4.365 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1Cl ZINC000774835741 1048139308 /nfs/dbraw/zinc/13/93/08/1048139308.db2.gz JMHPMDFBHQBEAT-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN C[C@@H](N[C@H](C)c1ccccc1O)c1ncc(-c2ccccc2)o1 ZINC001175419507 1048301236 /nfs/dbraw/zinc/30/12/36/1048301236.db2.gz WEILOMZOXZRZRL-ZIAGYGMSSA-N 0 1 308.381 4.459 20 10 DICDMN CCOc1cccc(CN(C)Cc2cc(Cl)ccc2F)c1O ZINC000775155293 1048454482 /nfs/dbraw/zinc/45/44/82/1048454482.db2.gz XXJIIIXSVWFOKH-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN COc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000160115750 1048638883 /nfs/dbraw/zinc/63/88/83/1048638883.db2.gz MLPSDGUZPAUPRR-UHFFFAOYSA-N 0 1 316.159 4.459 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850491885 1048671274 /nfs/dbraw/zinc/67/12/74/1048671274.db2.gz BBCZSSGOKFTYBF-GDBMZVCRSA-N 0 1 312.457 4.069 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543079 1048686815 /nfs/dbraw/zinc/68/68/15/1048686815.db2.gz XZPJESPLFRHQTD-IAGOWNOFSA-N 0 1 317.816 4.479 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(Cl)cc1[O-] ZINC000850542171 1048687359 /nfs/dbraw/zinc/68/73/59/1048687359.db2.gz ISULCAOYSQJKBY-HWPZZCPQSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc2ccccc2c1[O-] ZINC000850553095 1048689589 /nfs/dbraw/zinc/68/95/89/1048689589.db2.gz RSBLZAZPVFMOCD-ABAIWWIYSA-N 0 1 305.368 4.487 20 10 DICDMN C[C@@H]([NH2+]CCCc1ccco1)c1ccc(Br)cc1[O-] ZINC000850569315 1048696936 /nfs/dbraw/zinc/69/69/36/1048696936.db2.gz ADIOOFOUUDDKKG-LLVKDONJSA-N 0 1 324.218 4.031 20 10 DICDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001206715011 1048749264 /nfs/dbraw/zinc/74/92/64/1048749264.db2.gz NVYGMHCSPDCUOF-CYBMUJFWSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001206715011 1048749276 /nfs/dbraw/zinc/74/92/76/1048749276.db2.gz NVYGMHCSPDCUOF-CYBMUJFWSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001206715012 1048749567 /nfs/dbraw/zinc/74/95/67/1048749567.db2.gz NVYGMHCSPDCUOF-ZDUSSCGKSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001206715012 1048749580 /nfs/dbraw/zinc/74/95/80/1048749580.db2.gz NVYGMHCSPDCUOF-ZDUSSCGKSA-N 0 1 324.262 4.167 20 10 DICDMN C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000110246771 1048806620 /nfs/dbraw/zinc/80/66/20/1048806620.db2.gz IRBSGMNCJCLANY-LBPRGKRZSA-N 0 1 320.230 4.048 20 10 DICDMN Cc1nocc1CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000851878913 1048808362 /nfs/dbraw/zinc/80/83/62/1048808362.db2.gz DDWZOAWUNYYZLS-MRXNPFEDSA-N 0 1 322.408 4.452 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC001203586912 1048936540 /nfs/dbraw/zinc/93/65/40/1048936540.db2.gz WCROSPRHSGIRII-UHFFFAOYSA-N 0 1 300.229 4.465 20 10 DICDMN COc1ccc(CN(C)[C@@H](C)c2ccccc2Cl)c(O)c1 ZINC001203634417 1048943421 /nfs/dbraw/zinc/94/34/21/1048943421.db2.gz DZKITGBFMQTALR-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN Cc1ccccc1O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203657519 1048951476 /nfs/dbraw/zinc/95/14/76/1048951476.db2.gz LVXBDWXVCWWZSQ-INIZCTEOSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203657519 1048951486 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CC[N@H+](Cc1ccccc1O)CC1CCN(c2ccccc2)CC1 ZINC001208912942 1050022637 /nfs/dbraw/zinc/02/26/37/1050022637.db2.gz XYAJQQGPXGHUOG-UHFFFAOYSA-N 0 1 324.468 4.131 20 10 DICDMN CC[N@@H+](Cc1ccccc1[O-])CC1CCN(c2ccccc2)CC1 ZINC001208912942 1050022643 /nfs/dbraw/zinc/02/26/43/1050022643.db2.gz XYAJQQGPXGHUOG-UHFFFAOYSA-N 0 1 324.468 4.131 20 10 DICDMN CC[N@H+](Cc1ccccc1[O-])CC1CCN(c2ccccc2)CC1 ZINC001208912942 1050022651 /nfs/dbraw/zinc/02/26/51/1050022651.db2.gz XYAJQQGPXGHUOG-UHFFFAOYSA-N 0 1 324.468 4.131 20 10 DICDMN Cc1ccc(C)n1-c1ccc(CN(C)Cc2cccnc2)cc1 ZINC001209519495 1050065662 /nfs/dbraw/zinc/06/56/62/1050065662.db2.gz WIPWOJZLZLBRBV-UHFFFAOYSA-N 0 1 305.425 4.121 20 10 DICDMN Cc1cc(O)c(CN(C)Cc2ccc(Cl)nc2)cc1Cl ZINC000824548471 1050224539 /nfs/dbraw/zinc/22/45/39/1050224539.db2.gz NMDQKZUGUWPSMX-UHFFFAOYSA-N 0 1 311.212 4.034 20 10 DICDMN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000824654300 1050229869 /nfs/dbraw/zinc/22/98/69/1050229869.db2.gz MJPFXDYUSCYDIX-GWCFXTLKSA-N 0 1 305.315 4.132 20 10 DICDMN CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000824798520 1050244044 /nfs/dbraw/zinc/24/40/44/1050244044.db2.gz DCPCMQFCVQGFTK-HNAYVOBHSA-N 0 1 313.441 4.086 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000825125109 1050279870 /nfs/dbraw/zinc/27/98/70/1050279870.db2.gz GYZZLHFDUGDSNT-LLVKDONJSA-N 0 1 320.776 4.113 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)ccc2ccccc21 ZINC000825215262 1050285942 /nfs/dbraw/zinc/28/59/42/1050285942.db2.gz JPNWZNNNSASWHD-LJQANCHMSA-N 0 1 313.466 4.265 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@]3(CCSC3)C2)ccc2ccccc21 ZINC000825215262 1050285957 /nfs/dbraw/zinc/28/59/57/1050285957.db2.gz JPNWZNNNSASWHD-LJQANCHMSA-N 0 1 313.466 4.265 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1Cl ZINC000825375185 1050301029 /nfs/dbraw/zinc/30/10/29/1050301029.db2.gz JJKDAFUBOWYKRY-JTQLQIEISA-N 0 1 311.759 4.483 20 10 DICDMN CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825405033 1050302700 /nfs/dbraw/zinc/30/27/00/1050302700.db2.gz ARDGYHSCZSBQIP-GFCCVEGCSA-N 0 1 304.821 4.162 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1Cl ZINC000825391562 1050302726 /nfs/dbraw/zinc/30/27/26/1050302726.db2.gz YEMGBWHQXOHOEN-BBRMVZONSA-N 0 1 311.853 4.037 20 10 DICDMN CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825405034 1050303601 /nfs/dbraw/zinc/30/36/01/1050303601.db2.gz ARDGYHSCZSBQIP-LBPRGKRZSA-N 0 1 304.821 4.162 20 10 DICDMN Cc1nc2c(s1)[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])CCC2 ZINC000825469441 1050309336 /nfs/dbraw/zinc/30/93/36/1050309336.db2.gz XZRGHYKDVYHOOU-CYBMUJFWSA-N 0 1 322.861 4.286 20 10 DICDMN CCN(CC)c1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000735508658 1050401998 /nfs/dbraw/zinc/40/19/98/1050401998.db2.gz JSFJSBHXRKEUMR-SFHVURJKSA-N 0 1 312.482 4.469 20 10 DICDMN CN(C)Cc1cc(NCc2ccc(N(C)C)cc2)ccc1Cl ZINC000798503186 1050519762 /nfs/dbraw/zinc/51/97/62/1050519762.db2.gz DNJAGEJPTQZKNY-UHFFFAOYSA-N 0 1 317.864 4.080 20 10 DICDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2c(C)noc2C)cc1 ZINC000168178737 1050523191 /nfs/dbraw/zinc/52/31/91/1050523191.db2.gz ARFVXRCBXHHLPS-OLZOCXBDSA-N 0 1 301.434 4.159 20 10 DICDMN C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000786936882 1050535177 /nfs/dbraw/zinc/53/51/77/1050535177.db2.gz CFXLPUJXISOHEV-SNVBAGLBSA-N 0 1 311.759 4.217 20 10 DICDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144306892 1050536789 /nfs/dbraw/zinc/53/67/89/1050536789.db2.gz VTRXXVBIHUANLM-LLVKDONJSA-N 0 1 316.214 4.058 20 10 DICDMN [O-]c1ccccc1C[N@H+](C[C@H]1CCSC1)C1CCCCC1 ZINC000787049468 1050545784 /nfs/dbraw/zinc/54/57/84/1050545784.db2.gz ADJIQPVCLGIWGP-OAHLLOKOSA-N 0 1 305.487 4.280 20 10 DICDMN [O-]c1ccccc1C[N@@H+](C[C@H]1CCSC1)C1CCCCC1 ZINC000787049468 1050545795 /nfs/dbraw/zinc/54/57/95/1050545795.db2.gz ADJIQPVCLGIWGP-OAHLLOKOSA-N 0 1 305.487 4.280 20 10 DICDMN COc1ccc(O)c([C@H](C)NCc2c(F)cc(C)cc2Cl)c1 ZINC000845972533 1050639218 /nfs/dbraw/zinc/63/92/18/1050639218.db2.gz RLMMRTRPYYVLAM-NSHDSACASA-N 0 1 323.795 4.353 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000846055879 1050660515 /nfs/dbraw/zinc/66/05/15/1050660515.db2.gz RETCXAHBSGZVIY-UHFFFAOYSA-N 0 1 317.816 4.124 20 10 DICDMN COc1cccc([C@H](C)N[C@@H](C)c2c(F)cccc2F)c1O ZINC000846145746 1050683682 /nfs/dbraw/zinc/68/36/82/1050683682.db2.gz QBHCMLAOTQFMAM-QWRGUYRKSA-N 0 1 307.340 4.091 20 10 DICDMN COc1cccc([C@@H](C)NCc2c(F)cccc2Cl)c1O ZINC000846142860 1050683922 /nfs/dbraw/zinc/68/39/22/1050683922.db2.gz WPQJUCMNOOMMJM-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cc(Cl)ccc1[O-] ZINC000846185836 1050688487 /nfs/dbraw/zinc/68/84/87/1050688487.db2.gz SWQQVHGCORVARR-FZZIBODNSA-N 0 1 306.208 4.401 20 10 DICDMN CC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189886 1050691053 /nfs/dbraw/zinc/69/10/53/1050691053.db2.gz VQFFPDFIXGUSNB-SJLPKXTDSA-N 0 1 323.864 4.292 20 10 DICDMN COc1cc(Cl)cc(CN2CC[C@H]2c2ccccc2)c1O ZINC000761184987 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C[C@H](N[C@H]1COc2c1cccc2Cl)c1ccc(N(C)C)cc1 ZINC000773039417 1051036141 /nfs/dbraw/zinc/03/61/41/1051036141.db2.gz GKZLQTDKDYXNBI-SJCJKPOMSA-N 0 1 316.832 4.190 20 10 DICDMN C[C@H](NCc1cccc(F)n1)c1ccc(N2CCCCC2)cc1 ZINC000773089478 1051058465 /nfs/dbraw/zinc/05/84/65/1051058465.db2.gz QZVRPXJAZKNAMY-HNNXBMFYSA-N 0 1 313.420 4.062 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2cccc(Cl)n2)cc1 ZINC000743839554 1051069418 /nfs/dbraw/zinc/06/94/18/1051069418.db2.gz KIRNVGYKMYCPFC-UHFFFAOYSA-N 0 1 317.864 4.213 20 10 DICDMN COCc1ccccc1NCc1cc(Cl)cc(Cl)c1O ZINC000036938993 1051105516 /nfs/dbraw/zinc/10/55/16/1051105516.db2.gz AAYZMKUWKUESEC-UHFFFAOYSA-N 0 1 312.196 4.458 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)CCO2 ZINC000037103878 1051111906 /nfs/dbraw/zinc/11/19/06/1051111906.db2.gz NXSLENMKVMXCCN-UHFFFAOYSA-N 0 1 310.180 4.246 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128116 1051113795 /nfs/dbraw/zinc/11/37/95/1051113795.db2.gz ZNKAHZQSROOZDA-CQSZACIVSA-N 0 1 305.830 4.372 20 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CCOc1cccc(CN(C)Cc2ccccc2Cl)c1O ZINC000768169769 1051891430 /nfs/dbraw/zinc/89/14/30/1051891430.db2.gz JLEGDHTXUPCBEW-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CCCCC[NH+](CCCCC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438544 1051932320 /nfs/dbraw/zinc/93/23/20/1051932320.db2.gz BKLRLNIABLIXGG-SFHVURJKSA-N 0 1 321.461 4.000 20 10 DICDMN C[C@H]1CCC[C@@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837744 1051936986 /nfs/dbraw/zinc/93/69/86/1051936986.db2.gz BEQCWYBMTGHNHM-VHSXEESVSA-N 0 1 316.228 4.142 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000768528428 1051939312 /nfs/dbraw/zinc/93/93/12/1051939312.db2.gz SBBSPRWFXIALIQ-UHFFFAOYSA-N 0 1 317.816 4.089 20 10 DICDMN CC(C)c1nccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808090320 1051976034 /nfs/dbraw/zinc/97/60/34/1051976034.db2.gz YSIGLYHYFZWVPP-UHFFFAOYSA-N 0 1 312.200 4.225 20 10 DICDMN C[C@H](c1ccco1)N(Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000769101366 1051997016 /nfs/dbraw/zinc/99/70/16/1051997016.db2.gz DOZPJNOFJOVWIW-CYBMUJFWSA-N 0 1 302.393 4.210 20 10 DICDMN Cc1ccc(C)n1C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000769208580 1052008677 /nfs/dbraw/zinc/00/86/77/1052008677.db2.gz JROYFHYHKNFRKY-UHFFFAOYSA-N 0 1 318.848 4.301 20 10 DICDMN COC[C@H](NCc1ccc(OC)c(C)c1)c1cccc(Cl)c1 ZINC000808454789 1052025636 /nfs/dbraw/zinc/02/56/36/1052025636.db2.gz SVNNPISCKAGBSN-KRWDZBQOSA-N 0 1 319.832 4.134 20 10 DICDMN Oc1ccccc1CN(Cc1coc(C2CC2)n1)C1CCCC1 ZINC000769382960 1052037640 /nfs/dbraw/zinc/03/76/40/1052037640.db2.gz DFMKQLGZRJGCAQ-UHFFFAOYSA-N 0 1 312.413 4.202 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769504799 1052069646 /nfs/dbraw/zinc/06/96/46/1052069646.db2.gz ZQCZVGMQZFNOOO-QGZVFWFLSA-N 0 1 316.832 4.122 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769504799 1052069658 /nfs/dbraw/zinc/06/96/58/1052069658.db2.gz ZQCZVGMQZFNOOO-QGZVFWFLSA-N 0 1 316.832 4.122 20 10 DICDMN CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000808720833 1052079699 /nfs/dbraw/zinc/07/96/99/1052079699.db2.gz ZMBMHSQNSDLYLC-PZPSRYQVSA-N 0 1 319.832 4.208 20 10 DICDMN CCCC(N)(CCC)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217734775 1052128424 /nfs/dbraw/zinc/12/84/24/1052128424.db2.gz SJIXMIZDCYAXMW-UHFFFAOYSA-N 0 1 324.428 4.282 20 10 DICDMN Cc1ccc(C)c(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000762050611 1052294324 /nfs/dbraw/zinc/29/43/24/1052294324.db2.gz RLANQCFSBUPAAW-UHFFFAOYSA-N 0 1 306.409 4.189 20 10 DICDMN Cc1ccc(C)c(C[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000762050611 1052294329 /nfs/dbraw/zinc/29/43/29/1052294329.db2.gz RLANQCFSBUPAAW-UHFFFAOYSA-N 0 1 306.409 4.189 20 10 DICDMN C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc2ccccc2c1[O-] ZINC000324389263 1052308513 /nfs/dbraw/zinc/30/85/13/1052308513.db2.gz PPKXUAOBSOMOTK-WMLDXEAASA-N 0 1 319.404 4.200 20 10 DICDMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000315409078 1052337261 /nfs/dbraw/zinc/33/72/61/1052337261.db2.gz IQJQZKFNJFXFKP-OLZOCXBDSA-N 0 1 304.384 4.443 20 10 DICDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(F)cc(Br)c1[O-] ZINC001235301383 1052427794 /nfs/dbraw/zinc/42/77/94/1052427794.db2.gz GVLSHEJBAXYAGK-SNVBAGLBSA-N 0 1 316.214 4.058 20 10 DICDMN CCCN(Cc1ccn(C2CCCC2)n1)Cc1ccccc1O ZINC000763412322 1052625809 /nfs/dbraw/zinc/62/58/09/1052625809.db2.gz DXIOAHJWZWDYKN-UHFFFAOYSA-N 0 1 313.445 4.116 20 10 DICDMN Cc1cccc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)c1 ZINC000917482110 1052729414 /nfs/dbraw/zinc/72/94/14/1052729414.db2.gz CAPZOEJQHZDZKC-UHFFFAOYSA-N 0 1 313.441 4.336 20 10 DICDMN C[C@H]1OCC[C@H]1COC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227485533 1052995194 /nfs/dbraw/zinc/99/51/94/1052995194.db2.gz BRJLXDSGUPPTAD-OCLJEGOKSA-N 0 1 313.357 4.006 20 10 DICDMN CCN(CC)c1ccc(CN(C)CCC(F)(F)F)cc1F ZINC001319705323 1053263604 /nfs/dbraw/zinc/26/36/04/1053263604.db2.gz IRAZMICCUWUJPP-UHFFFAOYSA-N 0 1 306.347 4.056 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cc(C)sc2C)c1[O-] ZINC000182755293 1053510134 /nfs/dbraw/zinc/51/01/34/1053510134.db2.gz RZILQIGFPZTDHY-JTQLQIEISA-N 0 1 321.417 4.263 20 10 DICDMN N#Cc1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000070975626 1053591268 /nfs/dbraw/zinc/59/12/68/1053591268.db2.gz VYQZRZWVSGUMJP-UHFFFAOYSA-N 0 1 318.376 4.059 20 10 DICDMN CC1(C)CN(Cc2ccc(N3CCCC3)cc2)[C@@H]1c1ccncc1 ZINC001324276597 1053640363 /nfs/dbraw/zinc/64/03/63/1053640363.db2.gz REAWFQNCJYNQLJ-HXUWFJFHSA-N 0 1 321.468 4.265 20 10 DICDMN C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1nc(C(C)(C)C)cs1 ZINC001324543384 1053661160 /nfs/dbraw/zinc/66/11/60/1053661160.db2.gz SVGIMROBCSKFHV-DGCLKSJQSA-N 0 1 316.470 4.484 20 10 DICDMN CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC001325355855 1053716729 /nfs/dbraw/zinc/71/67/29/1053716729.db2.gz GNHVLXHYMIGAAW-GTNSWQLSSA-N 0 1 323.795 4.223 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC001200647799 1053849107 /nfs/dbraw/zinc/84/91/07/1053849107.db2.gz MNDDTYHXDPZUQB-UHFFFAOYSA-N 0 1 319.807 4.315 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc2ccccc2c1O ZINC001231881620 1053905550 /nfs/dbraw/zinc/90/55/50/1053905550.db2.gz ZERFJBWULDOLDF-UHFFFAOYSA-N 0 1 307.393 4.273 20 10 DICDMN CC[N@H+](Cc1ccccc1O)Cc1ccc2ccccc2c1[O-] ZINC001231881620 1053905554 /nfs/dbraw/zinc/90/55/54/1053905554.db2.gz ZERFJBWULDOLDF-UHFFFAOYSA-N 0 1 307.393 4.273 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc2ccccc2c1[O-] ZINC001231881620 1053905567 /nfs/dbraw/zinc/90/55/67/1053905567.db2.gz ZERFJBWULDOLDF-UHFFFAOYSA-N 0 1 307.393 4.273 20 10 DICDMN Oc1c(C[N@H+]2CCC[C@H](c3ccccn3)C2)ccc2ccccc21 ZINC001231882787 1053906277 /nfs/dbraw/zinc/90/62/77/1053906277.db2.gz VESZIOIDMXPMMX-KRWDZBQOSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)ccc2ccccc21 ZINC001231882787 1053906283 /nfs/dbraw/zinc/90/62/83/1053906283.db2.gz VESZIOIDMXPMMX-KRWDZBQOSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H](c3ccccn3)C2)ccc2ccccc21 ZINC001231882787 1053906290 /nfs/dbraw/zinc/90/62/90/1053906290.db2.gz VESZIOIDMXPMMX-KRWDZBQOSA-N 0 1 318.420 4.320 20 10 DICDMN Oc1c(Cl)cccc1CN1CCc2c3ccccc3oc2C1 ZINC001231914543 1053916216 /nfs/dbraw/zinc/91/62/16/1053916216.db2.gz NOHHHWMEKAJOMU-UHFFFAOYSA-N 0 1 313.784 4.350 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001231913218 1053917355 /nfs/dbraw/zinc/91/73/55/1053917355.db2.gz INOZJWDLNSQHMV-MRXNPFEDSA-N 0 1 319.807 4.392 20 10 DICDMN [O-]c1cc(O)c(C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1Cl ZINC001232262740 1054005481 /nfs/dbraw/zinc/00/54/81/1054005481.db2.gz ODOVAQDLDAJDQQ-HNNXBMFYSA-N 0 1 309.837 4.296 20 10 DICDMN [O-]c1cc(O)c(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1Cl ZINC001232262740 1054005492 /nfs/dbraw/zinc/00/54/92/1054005492.db2.gz ODOVAQDLDAJDQQ-HNNXBMFYSA-N 0 1 309.837 4.296 20 10 DICDMN COc1cc(O)c(CN2CCc3ccccc3[C@@H]2C)cc1Cl ZINC001232267142 1054006656 /nfs/dbraw/zinc/00/66/56/1054006656.db2.gz XPHCGQBDTVVGIY-LBPRGKRZSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@H+](C)CCc2cccc(C)c2)cc1Cl ZINC001232270170 1054011367 /nfs/dbraw/zinc/01/13/67/1054011367.db2.gz WMJGPKSSBGUJNZ-UHFFFAOYSA-N 0 1 319.832 4.037 20 10 DICDMN COc1cc([O-])c(C[N@@H+](C)CCc2cccc(C)c2)cc1Cl ZINC001232270170 1054011378 /nfs/dbraw/zinc/01/13/78/1054011378.db2.gz WMJGPKSSBGUJNZ-UHFFFAOYSA-N 0 1 319.832 4.037 20 10 DICDMN Cc1ccc(CN[C@H](C)c2nc(C(C)(C)C)cs2)c(O)c1 ZINC001330609075 1054042784 /nfs/dbraw/zinc/04/27/84/1054042784.db2.gz XCTIDGRCHVCKBI-GFCCVEGCSA-N 0 1 304.459 4.305 20 10 DICDMN CCN(Cc1ccccc1O)Cc1ccc(F)c(F)c1Cl ZINC001232877684 1054138527 /nfs/dbraw/zinc/13/85/27/1054138527.db2.gz MWJYUUWBRXVYJA-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000848558827 1054148684 /nfs/dbraw/zinc/14/86/84/1054148684.db2.gz OBXUNZVUYRIHJF-GOPGUHFVSA-N 0 1 309.837 4.044 20 10 DICDMN Cc1cnc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c(C)c1 ZINC000848560497 1054149538 /nfs/dbraw/zinc/14/95/38/1054149538.db2.gz MZHQFMSSAJWYMA-INIZCTEOSA-N 0 1 320.436 4.451 20 10 DICDMN [O-]c1c(C[N@@H+](Cc2ccccc2)C2CCC2)ccc(F)c1F ZINC001233079532 1054183246 /nfs/dbraw/zinc/18/32/46/1054183246.db2.gz FTBDFMHTSHBHOF-UHFFFAOYSA-N 0 1 303.352 4.225 20 10 DICDMN Cc1nc2c(s1)C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233286341 1054223256 /nfs/dbraw/zinc/22/32/56/1054223256.db2.gz PJUNLZCOQHCIEQ-UHFFFAOYSA-N 0 1 316.470 4.013 20 10 DICDMN Cc1nc2c(s1)CN(Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233286341 1054223271 /nfs/dbraw/zinc/22/32/71/1054223271.db2.gz PJUNLZCOQHCIEQ-UHFFFAOYSA-N 0 1 316.470 4.013 20 10 DICDMN COc1cc(Cl)cc(CN2CCc3ccccc3[C@H]2C)c1O ZINC001233287207 1054226405 /nfs/dbraw/zinc/22/64/05/1054226405.db2.gz BPFZHEXRIJKPGJ-GFCCVEGCSA-N 0 1 317.816 4.174 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001233334709 1054238802 /nfs/dbraw/zinc/23/88/02/1054238802.db2.gz QNYJBLBKSZCVLM-HNNXBMFYSA-N 0 1 307.315 4.147 20 10 DICDMN Cc1nc2ccc(NCc3ccc(F)c(F)c3O)cc2s1 ZINC001336711946 1054245217 /nfs/dbraw/zinc/24/52/17/1054245217.db2.gz RRWIWBZXJKGHDH-UHFFFAOYSA-N 0 1 306.337 4.201 20 10 DICDMN CSc1cccc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC001233353431 1054248702 /nfs/dbraw/zinc/24/87/02/1054248702.db2.gz VOSQGFZODHIOEH-UHFFFAOYSA-N 0 1 307.846 4.400 20 10 DICDMN CSc1cccc(Cl)c1CN(C)Cc1ccccc1O ZINC001233353431 1054248721 /nfs/dbraw/zinc/24/87/21/1054248721.db2.gz VOSQGFZODHIOEH-UHFFFAOYSA-N 0 1 307.846 4.400 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccccn2)cccc1C(F)(F)F ZINC001233417813 1054265141 /nfs/dbraw/zinc/26/51/41/1054265141.db2.gz JQTFEKUVRXQERC-OAHLLOKOSA-N 0 1 322.330 4.143 20 10 DICDMN Cc1ccc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001233417751 1054267282 /nfs/dbraw/zinc/26/72/82/1054267282.db2.gz GUIGGWZJFMTVHV-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415654 1054267746 /nfs/dbraw/zinc/26/77/46/1054267746.db2.gz DJDKBWFAWLVWSE-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN C[N@@H+](Cc1ccsc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418713 1054267982 /nfs/dbraw/zinc/26/79/82/1054267982.db2.gz SAPJKXISXUAMFP-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN Cc1ccccc1C[N@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418252 1054268602 /nfs/dbraw/zinc/26/86/02/1054268602.db2.gz YYQIDLMMVQBPMN-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452027 1054275886 /nfs/dbraw/zinc/27/58/86/1054275886.db2.gz IAIRQEMUZRUQJF-SNVBAGLBSA-N 0 1 323.305 4.278 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452027 1054275898 /nfs/dbraw/zinc/27/58/98/1054275898.db2.gz IAIRQEMUZRUQJF-SNVBAGLBSA-N 0 1 323.305 4.278 20 10 DICDMN C[C@@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452098 1054277561 /nfs/dbraw/zinc/27/75/61/1054277561.db2.gz KRCSRKULXIRQJU-CQSZACIVSA-N 0 1 305.315 4.125 20 10 DICDMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452098 1054277568 /nfs/dbraw/zinc/27/75/68/1054277568.db2.gz KRCSRKULXIRQJU-CQSZACIVSA-N 0 1 305.315 4.125 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001233454274 1054278341 /nfs/dbraw/zinc/27/83/41/1054278341.db2.gz OBIGPWLDTHJVQG-OAHLLOKOSA-N 0 1 322.330 4.143 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001233454274 1054278351 /nfs/dbraw/zinc/27/83/51/1054278351.db2.gz OBIGPWLDTHJVQG-OAHLLOKOSA-N 0 1 322.330 4.143 20 10 DICDMN CC[N@@H+](Cc1cccs1)Cc1ccc(C(F)(F)F)cc1O ZINC001233455085 1054280103 /nfs/dbraw/zinc/28/01/03/1054280103.db2.gz VJDPHVKWXYBQMN-UHFFFAOYSA-N 0 1 315.360 4.495 20 10 DICDMN CC[N@H+](Cc1cccs1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455085 1054280111 /nfs/dbraw/zinc/28/01/11/1054280111.db2.gz VJDPHVKWXYBQMN-UHFFFAOYSA-N 0 1 315.360 4.495 20 10 DICDMN CC[N@@H+](Cc1cccs1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455085 1054280126 /nfs/dbraw/zinc/28/01/26/1054280126.db2.gz VJDPHVKWXYBQMN-UHFFFAOYSA-N 0 1 315.360 4.495 20 10 DICDMN CCOc1ncccc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000184985674 1054303654 /nfs/dbraw/zinc/30/36/54/1054303654.db2.gz JKJOQTCLGVVPPF-AWEZNQCLSA-N 0 1 322.408 4.190 20 10 DICDMN CC1(C)CN(Cc2ccc(N3CCCC3)cc2)[C@H]1c1cccnc1 ZINC001343799634 1054453550 /nfs/dbraw/zinc/45/35/50/1054453550.db2.gz IPKXVEIOGZKGML-FQEVSTJZSA-N 0 1 321.468 4.265 20 10 DICDMN Cc1ccc([C@@H](C)NCc2cc(-c3ccccc3)on2)c(O)c1 ZINC000185302184 1054512111 /nfs/dbraw/zinc/51/21/11/1054512111.db2.gz TUMMYCDNEFWIJQ-CQSZACIVSA-N 0 1 308.381 4.206 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000185566472 1054582167 /nfs/dbraw/zinc/58/21/67/1054582167.db2.gz PRZLERJAZMZMCO-OLZOCXBDSA-N 0 1 303.377 4.260 20 10 DICDMN COc1cccc(F)c1[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000185567203 1054583760 /nfs/dbraw/zinc/58/37/60/1054583760.db2.gz QFSLEAAXCYBSJR-GHMZBOCLSA-N 0 1 307.340 4.091 20 10 DICDMN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185615065 1054599190 /nfs/dbraw/zinc/59/91/90/1054599190.db2.gz ZSAMJCJHMBHFDT-JKSUJKDBSA-N 0 1 315.457 4.241 20 10 DICDMN COCCC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000185753096 1054633941 /nfs/dbraw/zinc/63/39/41/1054633941.db2.gz 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DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)c1[O-] ZINC001559775339 1059612320 /nfs/dbraw/zinc/61/23/20/1059612320.db2.gz JSLKWZXBGQPQQI-MEDUHNTESA-N 0 1 307.409 4.038 20 10 DICDMN CN(Cc1cncs1)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248884900 1060038134 /nfs/dbraw/zinc/03/81/34/1060038134.db2.gz FOGDBSWZPXEKEU-UHFFFAOYSA-N 0 1 324.877 4.432 20 10 DICDMN CN1CCCc2cc(CNCc3cscc3Cl)ccc21 ZINC001560296780 1060081314 /nfs/dbraw/zinc/08/13/14/1060081314.db2.gz HVCVFLHCKONWKL-UHFFFAOYSA-N 0 1 306.862 4.074 20 10 DICDMN CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)ccc2O1 ZINC001249252671 1060205605 /nfs/dbraw/zinc/20/56/05/1060205605.db2.gz QDXHVUCHLDROES-YOEHRIQHSA-N 0 1 313.441 4.341 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC001560549738 1060357282 /nfs/dbraw/zinc/35/72/82/1060357282.db2.gz PNSLCYJAZRQACZ-UHFFFAOYSA-N 0 1 307.743 4.258 20 10 DICDMN CCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001560635672 1060447583 /nfs/dbraw/zinc/44/75/83/1060447583.db2.gz KNKIVOZCOGYYPQ-OIISXLGYSA-N 0 1 323.864 4.071 20 10 DICDMN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676648 1060514833 /nfs/dbraw/zinc/51/48/33/1060514833.db2.gz IGSGAMGABYAALR-QWHCGFSZSA-N 0 1 313.894 4.460 20 10 DICDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676648 1060514857 /nfs/dbraw/zinc/51/48/57/1060514857.db2.gz IGSGAMGABYAALR-QWHCGFSZSA-N 0 1 313.894 4.460 20 10 DICDMN C[C@H]1c2ccccc2OCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001560680504 1060522207 /nfs/dbraw/zinc/52/22/07/1060522207.db2.gz CIXDUNBNMNEVBI-TUYSUELWSA-N 0 1 322.452 4.221 20 10 DICDMN CCCN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccccc1O ZINC001560685583 1060531668 /nfs/dbraw/zinc/53/16/68/1060531668.db2.gz DSILQJQWBZOZSN-UHFFFAOYSA-N 0 1 321.424 4.195 20 10 DICDMN Cc1ccc(OCC[N@@H+](C)Cc2c([O-])cc(C)cc2Cl)cc1 ZINC001560721770 1060584442 /nfs/dbraw/zinc/58/44/42/1060584442.db2.gz VJGAZLFBVRQBSY-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN Cc1ccc(OCC[N@H+](C)Cc2c([O-])cc(C)cc2Cl)cc1 ZINC001560721770 1060584454 /nfs/dbraw/zinc/58/44/54/1060584454.db2.gz VJGAZLFBVRQBSY-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001560744614 1060611755 /nfs/dbraw/zinc/61/17/55/1060611755.db2.gz SOXDKMULSSPOKP-LBPRGKRZSA-N 0 1 324.262 4.167 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001560744614 1060611764 /nfs/dbraw/zinc/61/17/64/1060611764.db2.gz SOXDKMULSSPOKP-LBPRGKRZSA-N 0 1 324.262 4.167 20 10 DICDMN Cc1cc(CN2CC3(C2)CCCCC3)c(O)cc1Br ZINC001250133986 1060637468 /nfs/dbraw/zinc/63/74/68/1060637468.db2.gz SXWDZLZZBZAIFJ-UHFFFAOYSA-N 0 1 324.262 4.229 20 10 DICDMN Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001560786556 1060648716 /nfs/dbraw/zinc/64/87/16/1060648716.db2.gz XQOKDEAIALOEOU-GOSISDBHSA-N 0 1 321.342 4.050 20 10 DICDMN CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001560812276 1060672120 /nfs/dbraw/zinc/67/21/20/1060672120.db2.gz MZKOAIWRYFZZGG-QGZVFWFLSA-N 0 1 321.367 4.262 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001560819217 1060677518 /nfs/dbraw/zinc/67/75/18/1060677518.db2.gz YDLWBUSDZLPWMR-LMMKCTJWSA-N 0 1 311.400 4.299 20 10 DICDMN [O-]c1c(C[NH+]2CC(Cc3ccccc3)C2)ccc2ccccc21 ZINC001560874496 1060736539 /nfs/dbraw/zinc/73/65/39/1060736539.db2.gz BNPMVYOLLNVLPC-UHFFFAOYSA-N 0 1 303.405 4.220 20 10 DICDMN COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001560906893 1060767942 /nfs/dbraw/zinc/76/79/42/1060767942.db2.gz WHNSSLBCPHEVQJ-INIZCTEOSA-N 0 1 301.430 4.086 20 10 DICDMN COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001560906894 1060768082 /nfs/dbraw/zinc/76/80/82/1060768082.db2.gz WHNSSLBCPHEVQJ-MRXNPFEDSA-N 0 1 301.430 4.086 20 10 DICDMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001462225978 1061041852 /nfs/dbraw/zinc/04/18/52/1061041852.db2.gz PHIZBTGAQBZBGB-FQEVSTJZSA-N 0 1 313.416 4.475 20 10 DICDMN CC(C)[C@H]1[N@H+](Cc2c([O-])cccc2Br)CC1(C)C ZINC001462291912 1061082522 /nfs/dbraw/zinc/08/25/22/1061082522.db2.gz HTRXABCBULOILJ-CQSZACIVSA-N 0 1 312.251 4.021 20 10 DICDMN CC(C)[C@H]1[N@@H+](Cc2c([O-])cccc2Br)CC1(C)C ZINC001462291912 1061082539 /nfs/dbraw/zinc/08/25/39/1061082539.db2.gz HTRXABCBULOILJ-CQSZACIVSA-N 0 1 312.251 4.021 20 10 DICDMN [O-]c1c(C[NH+]2CC(c3ccc(F)cc3)C2)ccc2ccccc21 ZINC001462315230 1061101105 /nfs/dbraw/zinc/10/11/05/1061101105.db2.gz KEZPZSQZBRIFAY-UHFFFAOYSA-N 0 1 307.368 4.284 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1[O-] ZINC001473392808 1061132277 /nfs/dbraw/zinc/13/22/77/1061132277.db2.gz LQNQOKSWOIRLSE-CYBMUJFWSA-N 0 1 309.837 4.116 20 10 DICDMN Cc1ccc2cc(C[NH2+]Cc3cc(Cl)ccc3[O-])ccc2n1 ZINC001462391776 1061146676 /nfs/dbraw/zinc/14/66/76/1061146676.db2.gz GQHKFNXVSNHJTF-UHFFFAOYSA-N 0 1 312.800 4.192 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1[O-] ZINC001473520613 1061216148 /nfs/dbraw/zinc/21/61/48/1061216148.db2.gz YQNDJTSJLSJJKV-SWLSCSKDSA-N 0 1 321.436 4.381 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1[O-] ZINC001473520613 1061216167 /nfs/dbraw/zinc/21/61/67/1061216167.db2.gz YQNDJTSJLSJJKV-SWLSCSKDSA-N 0 1 321.436 4.381 20 10 DICDMN Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001462681777 1061336115 /nfs/dbraw/zinc/33/61/15/1061336115.db2.gz GGPMFGSDZKHIPT-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001462681777 1061336133 /nfs/dbraw/zinc/33/61/33/1061336133.db2.gz GGPMFGSDZKHIPT-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001462681777 1061336155 /nfs/dbraw/zinc/33/61/55/1061336155.db2.gz GGPMFGSDZKHIPT-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCc2csc(C(C)C)n2)c(Cl)c1 ZINC001473973196 1061519024 /nfs/dbraw/zinc/51/90/24/1061519024.db2.gz GADSBAUDRKBUSR-UHFFFAOYSA-N 0 1 324.877 4.266 20 10 DICDMN COc1ccc(CNC2(c3ccccc3OC)CCC2)cc1C ZINC001251894965 1061526484 /nfs/dbraw/zinc/52/64/84/1061526484.db2.gz KQQCVERSMWWUPX-UHFFFAOYSA-N 0 1 311.425 4.181 20 10 DICDMN c1ccc2c(c1)SC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC001251919391 1061533981 /nfs/dbraw/zinc/53/39/81/1061533981.db2.gz NKGMKNTUMWBZKY-GOSISDBHSA-N 0 1 310.466 4.223 20 10 DICDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC001474177759 1061724330 /nfs/dbraw/zinc/72/43/30/1061724330.db2.gz VYCGWRUCLNZTKZ-LSDHHAIUSA-N 0 1 311.853 4.117 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC001474190864 1061738735 /nfs/dbraw/zinc/73/87/35/1061738735.db2.gz DPZRDHDOXDAXQN-HUUCEWRRSA-N 0 1 301.817 4.247 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC001474195599 1061749074 /nfs/dbraw/zinc/74/90/74/1061749074.db2.gz BNVQQZALDKWNGA-SECBINFHSA-N 0 1 308.636 4.109 20 10 DICDMN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474321153 1061898809 /nfs/dbraw/zinc/89/88/09/1061898809.db2.gz ZVUVSYTUOYHQJE-HUUCEWRRSA-N 0 1 311.853 4.071 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1Cl ZINC001474352076 1061964339 /nfs/dbraw/zinc/96/43/39/1061964339.db2.gz SFVLWWFXUBOMPB-ZDUSSCGKSA-N 0 1 301.817 4.301 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cc1Cl ZINC001474352076 1061964362 /nfs/dbraw/zinc/96/43/62/1061964362.db2.gz SFVLWWFXUBOMPB-ZDUSSCGKSA-N 0 1 301.817 4.301 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001474354204 1061968129 /nfs/dbraw/zinc/96/81/29/1061968129.db2.gz MHVUCLFKIRMVND-XLIONFOSSA-N 0 1 311.400 4.433 20 10 DICDMN CC[C@@H](C)[C@@H](C)[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC001474366997 1061998227 /nfs/dbraw/zinc/99/82/27/1061998227.db2.gz KLTXSJWSUFMUQZ-VXGBXAGGSA-N 0 1 311.853 4.453 20 10 DICDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC001474366997 1061998249 /nfs/dbraw/zinc/99/82/49/1061998249.db2.gz KLTXSJWSUFMUQZ-VXGBXAGGSA-N 0 1 311.853 4.453 20 10 DICDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001474413095 1062076019 /nfs/dbraw/zinc/07/60/19/1062076019.db2.gz UPRBJRZVLNJXBE-MRXNPFEDSA-N 0 1 305.780 4.304 20 10 DICDMN CCN(C)c1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC001459346891 1062101156 /nfs/dbraw/zinc/10/11/56/1062101156.db2.gz GDRGPGMVMJFYDD-UWJYYQICSA-N 0 1 324.468 4.105 20 10 DICDMN Cc1cc(F)cc2c1CN(Cc1c(O)ccc(Cl)c1F)CC2 ZINC001474472597 1062152069 /nfs/dbraw/zinc/15/20/69/1062152069.db2.gz REPAWXCISCGLFC-UHFFFAOYSA-N 0 1 323.770 4.191 20 10 DICDMN Cc1cc(CN2CCc3cccc(F)c3[C@@H]2C)ccc1N(C)C ZINC001459540126 1062195006 /nfs/dbraw/zinc/19/50/06/1062195006.db2.gz JCUNDRPUJXXDNY-HNNXBMFYSA-N 0 1 312.432 4.319 20 10 DICDMN C[C@H](COc1ccccc1F)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC001254721286 1062238660 /nfs/dbraw/zinc/23/86/60/1062238660.db2.gz ONGXLOJOEHNHBG-VXGBXAGGSA-N 0 1 323.795 4.303 20 10 DICDMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474544405 1062239150 /nfs/dbraw/zinc/23/91/50/1062239150.db2.gz GOSBLXJFHGJQNX-XNJGSVPQSA-N 0 1 317.379 4.437 20 10 DICDMN CCC(CC)[N@@H+](CC)Cc1cc(Br)cc(C)c1O ZINC001474554743 1062253866 /nfs/dbraw/zinc/25/38/66/1062253866.db2.gz NCVCKFTVUSSPQV-UHFFFAOYSA-N 0 1 314.267 4.474 20 10 DICDMN Cc1cc(CN2Cc3cccc(O)c3C2)ccc1C(F)(F)F ZINC001474677258 1062408748 /nfs/dbraw/zinc/40/87/48/1062408748.db2.gz HYCSGWOEOLDESK-UHFFFAOYSA-N 0 1 307.315 4.235 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](Cc2ccccn2)CC(C)C)cc1Cl ZINC001474719349 1062445616 /nfs/dbraw/zinc/44/56/16/1062445616.db2.gz VLGQJVCBGFYKLP-UHFFFAOYSA-N 0 1 318.848 4.407 20 10 DICDMN Cc1cc([O-])c(C[N@H+](Cc2ccccn2)CC(C)C)cc1Cl ZINC001474719349 1062445627 /nfs/dbraw/zinc/44/56/27/1062445627.db2.gz VLGQJVCBGFYKLP-UHFFFAOYSA-N 0 1 318.848 4.407 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1Cl ZINC001474743558 1062460047 /nfs/dbraw/zinc/46/00/47/1062460047.db2.gz PBDQNJHDCPLAAP-LLVKDONJSA-N 0 1 303.780 4.269 20 10 DICDMN C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1cc(F)ccc1N(C)C ZINC001474760125 1062468983 /nfs/dbraw/zinc/46/89/83/1062468983.db2.gz HHZOWZURNHHOCG-NSHDSACASA-N 0 1 322.811 4.102 20 10 DICDMN C[C@@H](Cc1ccccc1F)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001255840795 1062628436 /nfs/dbraw/zinc/62/84/36/1062628436.db2.gz JEBCBLROVNVXSM-AWEZNQCLSA-N 0 1 309.384 4.405 20 10 DICDMN Oc1c(F)cccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256987784 1063070713 /nfs/dbraw/zinc/07/07/13/1063070713.db2.gz JQBLAMNIEQQPFX-UHFFFAOYSA-N 0 1 321.311 4.039 20 10 DICDMN CCCC(CCC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001257333242 1063214067 /nfs/dbraw/zinc/21/40/67/1063214067.db2.gz MXTXJDYKBCKDER-UHFFFAOYSA-N 0 1 300.240 4.213 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCO[C@@H]2CCCC[C@@H]2C)c(Cl)c1 ZINC001461053847 1063220358 /nfs/dbraw/zinc/22/03/58/1063220358.db2.gz PITWCFYQFLMSHJ-SUMWQHHRSA-N 0 1 311.853 4.039 20 10 DICDMN CCC(CC)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)SC ZINC001461258471 1063371002 /nfs/dbraw/zinc/37/10/02/1063371002.db2.gz SKSBKHCXLQWEGI-UHFFFAOYSA-N 0 1 301.883 4.365 20 10 DICDMN C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(N(C)C)cc1 ZINC001473109518 1063408784 /nfs/dbraw/zinc/40/87/84/1063408784.db2.gz TVHUPWVFLZYKQH-CYBMUJFWSA-N 0 1 304.384 4.224 20 10 DICDMN C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(N(C)C)cc1 ZINC001473109519 1063409783 /nfs/dbraw/zinc/40/97/83/1063409783.db2.gz TVHUPWVFLZYKQH-ZDUSSCGKSA-N 0 1 304.384 4.224 20 10 DICDMN COc1ccc(CNCc2cc(C3CC3)ccc2OC)cc1C ZINC001461731503 1063683891 /nfs/dbraw/zinc/68/38/91/1063683891.db2.gz ZPLBXJTYGWQLJP-UHFFFAOYSA-N 0 1 311.425 4.179 20 10 DICDMN CCSCC[C@H](C)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001461883181 1063771783 /nfs/dbraw/zinc/77/17/83/1063771783.db2.gz PPHXVRJJBKMPRQ-LBPRGKRZSA-N 0 1 301.883 4.318 20 10 DICDMN CCSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001461883181 1063771789 /nfs/dbraw/zinc/77/17/89/1063771789.db2.gz PPHXVRJJBKMPRQ-LBPRGKRZSA-N 0 1 301.883 4.318 20 10 DICDMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893119 1063781364 /nfs/dbraw/zinc/78/13/64/1063781364.db2.gz BENJFUYQVXGUHE-MLGOLLRUSA-N 0 1 303.352 4.048 20 10 DICDMN CC(C)C[N@@H+](CCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001461934888 1063821618 /nfs/dbraw/zinc/82/16/18/1063821618.db2.gz LOBHHOGMQKNZDM-UHFFFAOYSA-N 0 1 319.395 4.371 20 10 DICDMN CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(F)c(F)c1[O-] ZINC001461944515 1063830525 /nfs/dbraw/zinc/83/05/25/1063830525.db2.gz YCDZABWDNGDENC-UHFFFAOYSA-N 0 1 323.358 4.264 20 10 DICDMN COc1ccccc1C[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001258883205 1063871291 /nfs/dbraw/zinc/87/12/91/1063871291.db2.gz IZNKQCOLIZWDOS-HNNXBMFYSA-N 0 1 321.420 4.275 20 10 DICDMN CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001462017570 1063881279 /nfs/dbraw/zinc/88/12/79/1063881279.db2.gz AQKSTOWNUOWQSE-CYBMUJFWSA-N 0 1 305.368 4.471 20 10 DICDMN Cc1cc(O)c(C[N@@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC001462028998 1063887922 /nfs/dbraw/zinc/88/79/22/1063887922.db2.gz ZMYMTUCHQHNNAX-UHFFFAOYSA-N 0 1 323.795 4.004 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC001462028998 1063887931 /nfs/dbraw/zinc/88/79/31/1063887931.db2.gz ZMYMTUCHQHNNAX-UHFFFAOYSA-N 0 1 323.795 4.004 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCOc2ccc(F)cc2)cc1Cl ZINC001462028998 1063887938 /nfs/dbraw/zinc/88/79/38/1063887938.db2.gz ZMYMTUCHQHNNAX-UHFFFAOYSA-N 0 1 323.795 4.004 20 10 DICDMN CCc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])CCO2 ZINC001462051740 1063901570 /nfs/dbraw/zinc/90/15/70/1063901570.db2.gz MBCVPRMUPWTAQJ-INIZCTEOSA-N 0 1 317.816 4.221 20 10 DICDMN C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001462058191 1063908040 /nfs/dbraw/zinc/90/80/40/1063908040.db2.gz HQOYTDHJYAVZSR-LLVKDONJSA-N 0 1 312.251 4.023 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001462058191 1063908052 /nfs/dbraw/zinc/90/80/52/1063908052.db2.gz HQOYTDHJYAVZSR-LLVKDONJSA-N 0 1 312.251 4.023 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1OC(F)F ZINC000393540032 1064285122 /nfs/dbraw/zinc/28/51/22/1064285122.db2.gz XTVPOTCEEPFJHV-LBPRGKRZSA-N 0 1 319.351 4.074 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1[O-] 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CSC1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC001308633639 1066128868 /nfs/dbraw/zinc/12/88/68/1066128868.db2.gz LAOWBVMCEUVRMB-UHFFFAOYSA-N 0 1 305.487 4.423 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2cccn2C(F)F)cc1 ZINC001308645510 1066135734 /nfs/dbraw/zinc/13/57/34/1066135734.db2.gz NVJCZUBMDKJJGE-UHFFFAOYSA-N 0 1 321.415 4.361 20 10 DICDMN COc1cc(C)c(CN(Cc2ccccc2F)C2CC2)c(O)c1 ZINC001308663472 1066143769 /nfs/dbraw/zinc/14/37/69/1066143769.db2.gz TYDZSDLONMBCNK-UHFFFAOYSA-N 0 1 315.388 4.013 20 10 DICDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1O ZINC001308665602 1066144417 /nfs/dbraw/zinc/14/44/17/1066144417.db2.gz BMKMQLLQZLRVCW-QGZVFWFLSA-N 0 1 301.817 4.383 20 10 DICDMN CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308665602 1066144421 /nfs/dbraw/zinc/14/44/21/1066144421.db2.gz BMKMQLLQZLRVCW-QGZVFWFLSA-N 0 1 301.817 4.383 20 10 DICDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308665602 1066144423 /nfs/dbraw/zinc/14/44/23/1066144423.db2.gz BMKMQLLQZLRVCW-QGZVFWFLSA-N 0 1 301.817 4.383 20 10 DICDMN CCCN(Cc1cc(C(C)C)ccc1O)[C@H](CC)C(=O)OCC ZINC001308685914 1066154950 /nfs/dbraw/zinc/15/49/50/1066154950.db2.gz KRYZNGUCELZARZ-QGZVFWFLSA-N 0 1 321.461 4.069 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC001308715984 1066195119 /nfs/dbraw/zinc/19/51/19/1066195119.db2.gz RPFHHCYBKQBVCI-CHWSQXEVSA-N 0 1 311.853 4.037 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC001308742253 1066216316 /nfs/dbraw/zinc/21/63/16/1066216316.db2.gz BTDKJEVCOUFASQ-UHFFFAOYSA-N 0 1 317.816 4.163 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC001308742253 1066216322 /nfs/dbraw/zinc/21/63/22/1066216322.db2.gz BTDKJEVCOUFASQ-UHFFFAOYSA-N 0 1 317.816 4.163 20 10 DICDMN C[C@@H]1c2ccsc2CCN1Cc1c(O)ccc(Cl)c1F ZINC001308804811 1066282154 /nfs/dbraw/zinc/28/21/54/1066282154.db2.gz WYZXKTXJRCFOMG-SECBINFHSA-N 0 1 311.809 4.366 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)cc1Cl ZINC001308959726 1066419821 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[O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136742540 337455003 /nfs/dbraw/zinc/45/50/03/337455003.db2.gz YNTWKKMGKDTXGR-HNNXBMFYSA-N 0 1 309.837 4.017 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1cccc(F)c1F ZINC000527528691 337749357 /nfs/dbraw/zinc/74/93/57/337749357.db2.gz FQENMIHXHSJRRT-UHFFFAOYSA-N 0 1 300.352 4.055 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccnc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000527988488 337778023 /nfs/dbraw/zinc/77/80/23/337778023.db2.gz SVFWCCBFPZPWPH-OAHLLOKOSA-N 0 1 324.346 4.355 20 10 DICDMN CO[C@H](C)c1nc(CN[C@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273571656 536514363 /nfs/dbraw/zinc/51/43/63/536514363.db2.gz KVJKCTCRMWWQMJ-CHWSQXEVSA-N 0 1 320.458 4.024 20 10 DICDMN CCN(C)c1ccc([C@@H](C)N[C@H](CCOC)c2ccco2)cc1 ZINC000272485722 535765658 /nfs/dbraw/zinc/76/56/58/535765658.db2.gz BPXNCJMGIKXYGV-CRAIPNDOSA-N 0 1 316.445 4.164 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2CCC(F)(F)CC2)c(Cl)c1 ZINC001620913548 1055536476 /nfs/dbraw/zinc/53/64/76/1055536476.db2.gz LHBNBYQSHYVJJS-UHFFFAOYSA-N 0 1 303.780 4.269 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+]CCC1=CCCCC1 ZINC000706821774 1037476576 /nfs/dbraw/zinc/47/65/76/1037476576.db2.gz QOKHBLBCGFIINI-UHFFFAOYSA-N 0 1 310.235 4.135 20 10 DICDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc(F)cc1 ZINC000706833789 1037480717 /nfs/dbraw/zinc/48/07/17/1037480717.db2.gz GTLVUBMOPMVFRT-SNVBAGLBSA-N 0 1 324.193 4.145 20 10 DICDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000707165590 1037874518 /nfs/dbraw/zinc/87/45/18/1037874518.db2.gz IUAVZCMWJMYBEV-OLZOCXBDSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000707165590 1037874532 /nfs/dbraw/zinc/87/45/32/1037874532.db2.gz IUAVZCMWJMYBEV-OLZOCXBDSA-N 0 1 324.262 4.167 20 10 DICDMN COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)c2ccccc2)c1[O-] ZINC001204581802 1038505358 /nfs/dbraw/zinc/50/53/58/1038505358.db2.gz WCTXPXUQWGKOOJ-ZDUSSCGKSA-N 0 1 319.832 4.290 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)c2ccccc2)c1[O-] ZINC001204581802 1038505363 /nfs/dbraw/zinc/50/53/63/1038505363.db2.gz WCTXPXUQWGKOOJ-ZDUSSCGKSA-N 0 1 319.832 4.290 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001204585620 1038555154 /nfs/dbraw/zinc/55/51/54/1038555154.db2.gz VCTLEMUGGLKWEM-MRXNPFEDSA-N 0 1 315.844 4.419 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001204585620 1038555166 /nfs/dbraw/zinc/55/51/66/1038555166.db2.gz VCTLEMUGGLKWEM-MRXNPFEDSA-N 0 1 315.844 4.419 20 10 DICDMN CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000230664523 1038621320 /nfs/dbraw/zinc/62/13/20/1038621320.db2.gz YJQCKZGCMRYBBN-AEGPPILISA-N 0 1 301.455 4.480 20 10 DICDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C(C)(C)C ZINC000708124192 1038947011 /nfs/dbraw/zinc/94/70/11/1038947011.db2.gz DAIXHUJXXFWBIQ-UHFFFAOYSA-N 0 1 306.631 4.038 20 10 DICDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708133089 1038952466 /nfs/dbraw/zinc/95/24/66/1038952466.db2.gz HGDIEKSDXWHTKK-SECBINFHSA-N 0 1 318.642 4.040 20 10 DICDMN CCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132668 1038952799 /nfs/dbraw/zinc/95/27/99/1038952799.db2.gz FIHPBOJUTFHDSA-UHFFFAOYSA-N 0 1 320.658 4.429 20 10 DICDMN COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000324132681 1040051884 /nfs/dbraw/zinc/05/18/84/1040051884.db2.gz IRZHVTLGKDMBEA-OAHLLOKOSA-N 0 1 321.420 4.447 20 10 DICDMN CN(Cc1ccccc1O)Cc1ccc(-c2ccncc2)cc1F ZINC000091956527 1040451731 /nfs/dbraw/zinc/45/17/31/1040451731.db2.gz PPKFLYGBGSAFMA-UHFFFAOYSA-N 0 1 322.383 4.225 20 10 DICDMN CCC[C@H](NCc1ccc(N(C)C)cc1)c1ncccc1Cl ZINC000924572865 1040887230 /nfs/dbraw/zinc/88/72/30/1040887230.db2.gz FYVWOPQNMUPOEG-KRWDZBQOSA-N 0 1 317.864 4.432 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000808700180 1041007444 /nfs/dbraw/zinc/00/74/44/1041007444.db2.gz IQDGJQHJVYNMMU-MLGOLLRUSA-N 0 1 311.853 4.210 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000808700182 1041008431 /nfs/dbraw/zinc/00/84/31/1041008431.db2.gz IQDGJQHJVYNMMU-WBMJQRKESA-N 0 1 311.853 4.210 20 10 DICDMN c1nc2ccc(NCc3ccc(N4CCCCC4)cc3)cc2[nH]1 ZINC000809423369 1041153582 /nfs/dbraw/zinc/15/35/82/1041153582.db2.gz OHSFCICHSFNRMT-UHFFFAOYSA-N 0 1 306.413 4.165 20 10 DICDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809766786 1041235134 /nfs/dbraw/zinc/23/51/34/1041235134.db2.gz AUJCFEHIYWWPMA-LLVKDONJSA-N 0 1 308.274 4.272 20 10 DICDMN CCN(CC)c1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000809763741 1041248488 /nfs/dbraw/zinc/24/84/88/1041248488.db2.gz QNHUBWQTCADKKL-UHFFFAOYSA-N 0 1 309.457 4.092 20 10 DICDMN Cc1ccc(O)c(CN2CCCn3c(cc4ccccc43)C2)c1 ZINC000809782682 1041253293 /nfs/dbraw/zinc/25/32/93/1041253293.db2.gz CZCVEBSELZJHFL-UHFFFAOYSA-N 0 1 306.409 4.061 20 10 DICDMN CC[C@@H](NCc1nccs1)c1ccc(C(F)(F)F)cc1O ZINC000810211312 1041336890 /nfs/dbraw/zinc/33/68/90/1041336890.db2.gz PNAPCYCBQCKFAE-LLVKDONJSA-N 0 1 316.348 4.108 20 10 DICDMN CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222161 1041339796 /nfs/dbraw/zinc/33/97/96/1041339796.db2.gz OHWGJTDZXXFZKJ-HIFRSBDPSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221150 1041339985 /nfs/dbraw/zinc/33/99/85/1041339985.db2.gz LQSHGXXNCPBAND-WCQYABFASA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223676 1041342230 /nfs/dbraw/zinc/34/22/30/1041342230.db2.gz NYVSKRXILWTRDU-DGCLKSJQSA-N 0 1 319.392 4.347 20 10 DICDMN CCOCCCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211097 1041346633 /nfs/dbraw/zinc/34/66/33/1041346633.db2.gz MEVIPAXWYSYCEY-CQSZACIVSA-N 0 1 319.367 4.268 20 10 DICDMN CC[C@H]([NH2+]CC1(SC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237829 1041353451 /nfs/dbraw/zinc/35/34/51/1041353451.db2.gz KMKPYFPZIANECV-LBPRGKRZSA-N 0 1 319.392 4.347 20 10 DICDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])nc1C ZINC000314341993 1041447233 /nfs/dbraw/zinc/44/72/33/1041447233.db2.gz VCYQAIAQGSEEFX-HNNXBMFYSA-N 0 1 306.409 4.408 20 10 DICDMN Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185435332 1041613286 /nfs/dbraw/zinc/61/32/86/1041613286.db2.gz HDGISICOWFCAHZ-MGPUTAFESA-N 0 1 321.420 4.238 20 10 DICDMN Oc1c(Cl)cccc1CN1CCn2c(cc3ccccc32)C1 ZINC000812800229 1041652403 /nfs/dbraw/zinc/65/24/03/1041652403.db2.gz QGKBMXMNBXHMCN-UHFFFAOYSA-N 0 1 312.800 4.016 20 10 DICDMN COc1ccc(CNCc2cc(Cl)sc2Cl)c(O)c1 ZINC000312753735 1041781045 /nfs/dbraw/zinc/78/10/45/1041781045.db2.gz ZUGKWIGHFSMFJU-UHFFFAOYSA-N 0 1 318.225 4.059 20 10 DICDMN C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1[O-] ZINC000194619447 1041828572 /nfs/dbraw/zinc/82/85/72/1041828572.db2.gz RKEOHMGUBROPMH-CYBMUJFWSA-N 0 1 322.364 4.304 20 10 DICDMN Cc1nc(C(C)(C)NCc2ccc(N(C)C)c(C)c2)sc1C ZINC000815071486 1041911509 /nfs/dbraw/zinc/91/15/09/1041911509.db2.gz WOKDCXUQYGRSAT-UHFFFAOYSA-N 0 1 317.502 4.159 20 10 DICDMN Cc1ccc([C@@H](C)NCc2c(F)cc(F)cc2F)c(O)c1C ZINC000815650120 1041985324 /nfs/dbraw/zinc/98/53/24/1041985324.db2.gz JAZOULSDJNSFSU-LLVKDONJSA-N 0 1 309.331 4.277 20 10 DICDMN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccc(F)cc2)c1O ZINC000748051443 1042031489 /nfs/dbraw/zinc/03/14/89/1042031489.db2.gz XJYIMJBHGFNTJV-LLVKDONJSA-N 0 1 319.351 4.066 20 10 DICDMN COCC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816481349 1042056105 /nfs/dbraw/zinc/05/61/05/1042056105.db2.gz RKRHYNXULOTOKR-UHFFFAOYSA-N 0 1 321.420 4.194 20 10 DICDMN COCC[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816481349 1042056110 /nfs/dbraw/zinc/05/61/10/1042056110.db2.gz RKRHYNXULOTOKR-UHFFFAOYSA-N 0 1 321.420 4.194 20 10 DICDMN CCCO[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816508826 1042061091 /nfs/dbraw/zinc/06/10/91/1042061091.db2.gz WADYTYOLTHMQEF-SFHVURJKSA-N 0 1 313.441 4.327 20 10 DICDMN CCCO[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816508826 1042061096 /nfs/dbraw/zinc/06/10/96/1042061096.db2.gz WADYTYOLTHMQEF-SFHVURJKSA-N 0 1 313.441 4.327 20 10 DICDMN Oc1cc(F)c(Cl)cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000816516901 1042061810 /nfs/dbraw/zinc/06/18/10/1042061810.db2.gz VYRBBFKQYVXZRY-HNNXBMFYSA-N 0 1 309.743 4.271 20 10 DICDMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508278 1042062283 /nfs/dbraw/zinc/06/22/83/1042062283.db2.gz HXMGJZYMGXRACZ-JTQLQIEISA-N 0 1 309.768 4.083 20 10 DICDMN C[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Oc1ccccc1 ZINC000816551395 1042064801 /nfs/dbraw/zinc/06/48/01/1042064801.db2.gz ABTDRKHZDUPOGT-HNNXBMFYSA-N 0 1 307.393 4.103 20 10 DICDMN [O-]c1c(C[NH2+]CCc2ccc(F)cc2F)ccc2ccccc21 ZINC000816549363 1042064890 /nfs/dbraw/zinc/06/48/90/1042064890.db2.gz LXWOASFTMCYXQW-UHFFFAOYSA-N 0 1 313.347 4.156 20 10 DICDMN Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557863 1042066920 /nfs/dbraw/zinc/06/69/20/1042066920.db2.gz DZKJSGAQPQDTKV-GFCCVEGCSA-N 0 1 310.397 4.044 20 10 DICDMN COc1cc(C)cc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816558068 1042067182 /nfs/dbraw/zinc/06/71/82/1042067182.db2.gz MANFKESYQLLHMT-UHFFFAOYSA-N 0 1 307.393 4.152 20 10 DICDMN CCCCn1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(C)n1 ZINC000816560249 1042069004 /nfs/dbraw/zinc/06/90/04/1042069004.db2.gz JIZDKUOYQYRJDF-UHFFFAOYSA-N 0 1 323.440 4.140 20 10 DICDMN COc1cccc2c1CC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816567210 1042069031 /nfs/dbraw/zinc/06/90/31/1042069031.db2.gz UIIJPEBLDQXLKL-UHFFFAOYSA-N 0 1 319.404 4.112 20 10 DICDMN COc1cccc2c1CC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000816567210 1042069034 /nfs/dbraw/zinc/06/90/34/1042069034.db2.gz UIIJPEBLDQXLKL-UHFFFAOYSA-N 0 1 319.404 4.112 20 10 DICDMN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559628 1042069222 /nfs/dbraw/zinc/06/92/22/1042069222.db2.gz PSHSQNGKIKDQLM-WMZOPIPTSA-N 0 1 313.441 4.229 20 10 DICDMN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560678 1042069233 /nfs/dbraw/zinc/06/92/33/1042069233.db2.gz XGBZDIWYSFZPIJ-ROUUACIJSA-N 0 1 313.441 4.229 20 10 DICDMN Cc1cnc([C@@H](C)C[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816569267 1042069377 /nfs/dbraw/zinc/06/93/77/1042069377.db2.gz FGESJKWSSIVLSG-LBPRGKRZSA-N 0 1 312.438 4.204 20 10 DICDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569818 1042069950 /nfs/dbraw/zinc/06/99/50/1042069950.db2.gz XQQDUDUJVRSJTP-MEDUHNTESA-N 0 1 320.795 4.163 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816594974 1042070664 /nfs/dbraw/zinc/07/06/64/1042070664.db2.gz VBIBDROTVYFHEQ-ABAIWWIYSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594974 1042070670 /nfs/dbraw/zinc/07/06/70/1042070670.db2.gz VBIBDROTVYFHEQ-ABAIWWIYSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594974 1042070677 /nfs/dbraw/zinc/07/06/77/1042070677.db2.gz VBIBDROTVYFHEQ-ABAIWWIYSA-N 0 1 309.331 4.318 20 10 DICDMN [O-]c1c(C[NH2+]CCc2ccc3[nH]ccc3c2)ccc2ccccc21 ZINC000816599675 1042071794 /nfs/dbraw/zinc/07/17/94/1042071794.db2.gz UWXUJHYVARBQNK-UHFFFAOYSA-N 0 1 316.404 4.359 20 10 DICDMN [O-]c1c(C[NH2+]CCc2cccc3[nH]ccc32)ccc2ccccc21 ZINC000816600030 1042072317 /nfs/dbraw/zinc/07/23/17/1042072317.db2.gz IAPOLTVGCWSWSW-UHFFFAOYSA-N 0 1 316.404 4.359 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)c(F)cc2O)[C@H]1c1cccnc1 ZINC000816616931 1042072620 /nfs/dbraw/zinc/07/26/20/1042072620.db2.gz JWVCVUKEARHZCX-INIZCTEOSA-N 0 1 320.795 4.163 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610392 1042072671 /nfs/dbraw/zinc/07/26/71/1042072671.db2.gz JBSDGYBJWNWKNA-UHFFFAOYSA-N 0 1 322.811 4.034 20 10 DICDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612876 1042073102 /nfs/dbraw/zinc/07/31/02/1042073102.db2.gz ZWTNZJPLPGBTIB-HNNXBMFYSA-N 0 1 308.784 4.163 20 10 DICDMN C[C@@]12CC[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]1C2(F)F ZINC000816617150 1042073691 /nfs/dbraw/zinc/07/36/91/1042073691.db2.gz POUCRBCKRRVHID-DOTOQJQBSA-N 0 1 303.352 4.023 20 10 DICDMN C[C@@]12CC[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]1C2(F)F ZINC000816617150 1042073696 /nfs/dbraw/zinc/07/36/96/1042073696.db2.gz POUCRBCKRRVHID-DOTOQJQBSA-N 0 1 303.352 4.023 20 10 DICDMN CC1(C)CN(Cc2c(O)ccc(Cl)c2F)[C@H]1c1ccncc1 ZINC000816622228 1042075015 /nfs/dbraw/zinc/07/50/15/1042075015.db2.gz ZVNPFHUIPFUIOH-INIZCTEOSA-N 0 1 320.795 4.163 20 10 DICDMN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc2ccccc2c1[O-] ZINC000121991784 1042160208 /nfs/dbraw/zinc/16/02/08/1042160208.db2.gz IVVKIAVJRFWVMX-FZKQIMNGSA-N 0 1 301.455 4.482 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccccn1 ZINC000279838897 1042346352 /nfs/dbraw/zinc/34/63/52/1042346352.db2.gz HLYWZVCKMSSXPV-GFCCVEGCSA-N 0 1 323.362 4.017 20 10 DICDMN CC[C@@H](N[C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(C)cc1O ZINC000279930473 1042385835 /nfs/dbraw/zinc/38/58/35/1042385835.db2.gz AQMPFBPNAVBSBY-GZBFAFLISA-N 0 1 316.449 4.134 20 10 DICDMN CCN(CC)c1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000236957402 1042428132 /nfs/dbraw/zinc/42/81/32/1042428132.db2.gz YAWPJCMUUOXQTF-UHFFFAOYSA-N 0 1 312.432 4.451 20 10 DICDMN CC[C@H](N[C@H](COC)c1ccc(C)o1)c1ccc(C)cc1O ZINC000280036728 1042562188 /nfs/dbraw/zinc/56/21/88/1042562188.db2.gz IMYJIWDEJJAPND-JKSUJKDBSA-N 0 1 303.402 4.030 20 10 DICDMN CC[C@H](NCc1csc([C@H](C)OC)n1)c1ccc(C)cc1O ZINC000280097803 1042564403 /nfs/dbraw/zinc/56/44/03/1042564403.db2.gz MXGVRZGPDLORME-WFASDCNBSA-N 0 1 320.458 4.105 20 10 DICDMN CN(C)c1ccc(CNCc2ccc(-c3ccccc3)o2)cc1F ZINC000237129051 1042686681 /nfs/dbraw/zinc/68/66/81/1042686681.db2.gz SUIZULKWFMKBKP-UHFFFAOYSA-N 0 1 324.399 4.442 20 10 DICDMN CC[C@H](NCc1ccn(C2CCCC2)n1)c1ccc(C)cc1O ZINC000794815299 1043059245 /nfs/dbraw/zinc/05/92/45/1043059245.db2.gz JTHLQZDGBYNVGB-SFHVURJKSA-N 0 1 313.445 4.253 20 10 DICDMN C[C@@H](NCc1cccnc1F)c1ccc(N2CCCCC2)cc1 ZINC000794837021 1043098707 /nfs/dbraw/zinc/09/87/07/1043098707.db2.gz TXRYGFXNHVKROX-OAHLLOKOSA-N 0 1 313.420 4.062 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1F ZINC000184927560 1043192242 /nfs/dbraw/zinc/19/22/42/1043192242.db2.gz GEWDGFQPKPPUCO-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc2ccccc2c1[O-] ZINC000185772747 1043207426 /nfs/dbraw/zinc/20/74/26/1043207426.db2.gz IDDHLXYSBYOVMV-BYNBJNPRSA-N 0 1 311.425 4.154 20 10 DICDMN C[C@@H]([NH2+]CCCc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000186140766 1043214344 /nfs/dbraw/zinc/21/43/44/1043214344.db2.gz GMSXOOJUEMYAPA-OAHLLOKOSA-N 0 1 306.409 4.224 20 10 DICDMN C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(Br)cc1[O-] ZINC000760039206 1043219994 /nfs/dbraw/zinc/21/99/94/1043219994.db2.gz DERNIJWXSSKUIB-YGRLFVJLSA-N 0 1 310.235 4.138 20 10 DICDMN CCn1cc(N[C@@H](C)c2ccc(Cl)c(Cl)c2O)cn1 ZINC000186356965 1043223301 /nfs/dbraw/zinc/22/33/01/1043223301.db2.gz NVWKGEGBVGMBLR-QMMMGPOBSA-N 0 1 300.189 4.089 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cc(Br)ccc1[O-] ZINC000760040487 1043228674 /nfs/dbraw/zinc/22/86/74/1043228674.db2.gz KSYKILUBPXXCIL-QMTHXVAHSA-N 0 1 310.235 4.138 20 10 DICDMN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000186561701 1043229173 /nfs/dbraw/zinc/22/91/73/1043229173.db2.gz ZHUHQUQXBURPBK-GXSJLCMTSA-N 0 1 310.850 4.265 20 10 DICDMN CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(Cl)ccc1O ZINC000777444146 1043255135 /nfs/dbraw/zinc/25/51/35/1043255135.db2.gz YBZMQTCFIAQQDH-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(F)cc1F ZINC000122687445 1043321780 /nfs/dbraw/zinc/32/17/80/1043321780.db2.gz MYCZLCVCISVMMQ-ZDUSSCGKSA-N 0 1 304.384 4.190 20 10 DICDMN COCC(C)(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000872104825 1043460099 /nfs/dbraw/zinc/46/00/99/1043460099.db2.gz QVLKBYCEXRGJHN-AWEZNQCLSA-N 0 1 301.430 4.259 20 10 DICDMN C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc2ccccc2c1[O-] ZINC000926916537 1043654639 /nfs/dbraw/zinc/65/46/39/1043654639.db2.gz PZYBGVHNTAAOKE-LXGCGDOSSA-N 0 1 311.425 4.155 20 10 DICDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000927067780 1043681516 /nfs/dbraw/zinc/68/15/16/1043681516.db2.gz GRTXCPJRTJFFIW-KUHUBIRLSA-N 0 1 323.440 4.327 20 10 DICDMN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825934048 1043745597 /nfs/dbraw/zinc/74/55/97/1043745597.db2.gz FWBWPIMMYCJAFS-MRXNPFEDSA-N 0 1 304.821 4.332 20 10 DICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825934048 1043745606 /nfs/dbraw/zinc/74/56/06/1043745606.db2.gz FWBWPIMMYCJAFS-MRXNPFEDSA-N 0 1 304.821 4.332 20 10 DICDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825935332 1043747835 /nfs/dbraw/zinc/74/78/35/1043747835.db2.gz QKBZEPUVMYPVJZ-HNNXBMFYSA-N 0 1 319.836 4.031 20 10 DICDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825935332 1043747844 /nfs/dbraw/zinc/74/78/44/1043747844.db2.gz QKBZEPUVMYPVJZ-HNNXBMFYSA-N 0 1 319.836 4.031 20 10 DICDMN Cc1csc([C@@H]2CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000877813692 1043802820 /nfs/dbraw/zinc/80/28/20/1043802820.db2.gz JKEBWVBJOROPPI-MRXNPFEDSA-N 0 1 324.449 4.300 20 10 DICDMN Cc1csc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000877813692 1043802841 /nfs/dbraw/zinc/80/28/41/1043802841.db2.gz JKEBWVBJOROPPI-MRXNPFEDSA-N 0 1 324.449 4.300 20 10 DICDMN C[C@H](NCc1csc(C2CCCC2)n1)c1ccccc1O ZINC000879651908 1043978595 /nfs/dbraw/zinc/97/85/95/1043978595.db2.gz OTTYKDAPKLOJFQ-LBPRGKRZSA-N 0 1 302.443 4.357 20 10 DICDMN Cc1cc(CN[C@H](C)c2ccccn2)c(C)n1-c1ccccc1 ZINC000320344378 1044025459 /nfs/dbraw/zinc/02/54/59/1044025459.db2.gz OUWVCMCVZSPLML-MRXNPFEDSA-N 0 1 305.425 4.340 20 10 DICDMN CN(Cc1cc(F)cc(F)c1O)Cc1c(F)cccc1Cl ZINC001308661652 1044072158 /nfs/dbraw/zinc/07/21/58/1044072158.db2.gz BTHIUWNSWMDIKG-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN CCOc1cccc(CN(C)[C@@H](C)c2ccccc2F)c1O ZINC000129720769 1044172692 /nfs/dbraw/zinc/17/26/92/1044172692.db2.gz CXZKKMCFTGUFRQ-ZDUSSCGKSA-N 0 1 303.377 4.123 20 10 DICDMN COc1cccc(CN(C)[C@H](C)c2ccccc2Cl)c1O ZINC000130852947 1044217947 /nfs/dbraw/zinc/21/79/47/1044217947.db2.gz PETLNCWVBNKJDB-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(Cl)n1 ZINC000883301697 1044262169 /nfs/dbraw/zinc/26/21/69/1044262169.db2.gz GXCOLFHBTKVMCK-SNVBAGLBSA-N 0 1 311.212 4.253 20 10 DICDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c(Cl)n1 ZINC000883302021 1044262683 /nfs/dbraw/zinc/26/26/83/1044262683.db2.gz OKKQATMUWOUQHG-SNVBAGLBSA-N 0 1 311.212 4.253 20 10 DICDMN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc2ccccc2c1[O-] ZINC000883380843 1044292005 /nfs/dbraw/zinc/29/20/05/1044292005.db2.gz BGBKSZNHZBXOHH-AWEZNQCLSA-N 0 1 311.425 4.155 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2CCCc3cccnc32)ccc2ccccc21 ZINC000897071160 1044295730 /nfs/dbraw/zinc/29/57/30/1044295730.db2.gz XJJFNYNZNVVTKW-GOSISDBHSA-N 0 1 304.393 4.108 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000475201668 1044322875 /nfs/dbraw/zinc/32/28/75/1044322875.db2.gz JJAMHTYYYGDLQV-GUYCJALGSA-N 0 1 308.425 4.493 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2cc(F)ccc2F)cc1 ZINC000133016082 1044350408 /nfs/dbraw/zinc/35/04/08/1044350408.db2.gz APKWPNFDYVKDEQ-ZDUSSCGKSA-N 0 1 304.384 4.272 20 10 DICDMN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1O ZINC000361292550 1044386258 /nfs/dbraw/zinc/38/62/58/1044386258.db2.gz HCOZALBJTNTBJX-YWZLYKJASA-N 0 1 304.393 4.227 20 10 DICDMN Oc1cccc2c1[C@@H](NCc1c(Cl)cccc1Cl)CC2 ZINC000696908414 1044411145 /nfs/dbraw/zinc/41/11/45/1044411145.db2.gz YSMSBGVZKPAJGR-AWEZNQCLSA-N 0 1 308.208 4.476 20 10 DICDMN C[N@@H+](Cc1cccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000216352206 1044553226 /nfs/dbraw/zinc/55/32/26/1044553226.db2.gz HYJXZCGGSKYHEQ-UHFFFAOYSA-N 0 1 300.471 4.370 20 10 DICDMN CC[C@H](NCc1ccc(N(CC)CC)cc1)c1ccc(F)cn1 ZINC000779021817 1045147035 /nfs/dbraw/zinc/14/70/35/1045147035.db2.gz XWKXQMGLXPEFLH-SFHVURJKSA-N 0 1 315.436 4.308 20 10 DICDMN CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N(C)C ZINC000320729517 1045185331 /nfs/dbraw/zinc/18/53/31/1045185331.db2.gz XBVUGKANPOEPBL-RDJZCZTQSA-N 0 1 314.473 4.172 20 10 DICDMN CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N(C)C ZINC000320729519 1045186499 /nfs/dbraw/zinc/18/64/99/1045186499.db2.gz XBVUGKANPOEPBL-WBVHZDCISA-N 0 1 314.473 4.172 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cc(-c2ccccc2)no1 ZINC000924901636 1045209261 /nfs/dbraw/zinc/20/92/61/1045209261.db2.gz SKBBZFNIVOQALO-AWEZNQCLSA-N 0 1 320.392 4.127 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1cc(Cl)ccc1[O-] ZINC000779056053 1045221308 /nfs/dbraw/zinc/22/13/08/1045221308.db2.gz OSVPGFXQJAVUHL-OAHLLOKOSA-N 0 1 323.795 4.434 20 10 DICDMN CC[C@H](N[C@@H](C)c1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000162359873 1045241551 /nfs/dbraw/zinc/24/15/51/1045241551.db2.gz SMSXEUOTKICTIG-BBRMVZONSA-N 0 1 303.475 4.319 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c1[O-] ZINC001307504703 1045561046 /nfs/dbraw/zinc/56/10/46/1045561046.db2.gz BGQRRKAHLOTVQX-OAHLLOKOSA-N 0 1 309.837 4.259 20 10 DICDMN C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1cc(Cl)ccc1[O-] ZINC000800501446 1045635222 /nfs/dbraw/zinc/63/52/22/1045635222.db2.gz QDAKAFRJPKSQFR-LBPRGKRZSA-N 0 1 314.816 4.420 20 10 DICDMN CC1=C(c2ccco2)C[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000800866337 1045659788 /nfs/dbraw/zinc/65/97/88/1045659788.db2.gz FOAIIMXHOUBHNZ-UHFFFAOYSA-N 0 1 320.392 4.213 20 10 DICDMN CC1=C(c2ccco2)C[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000800866337 1045659793 /nfs/dbraw/zinc/65/97/93/1045659793.db2.gz FOAIIMXHOUBHNZ-UHFFFAOYSA-N 0 1 320.392 4.213 20 10 DICDMN [O-]c1ccccc1C[N@H+](CC[C@H]1CCCCO1)C1CCCC1 ZINC000754042821 1045837651 /nfs/dbraw/zinc/83/76/51/1045837651.db2.gz DSLVQMUCSGCAQY-GOSISDBHSA-N 0 1 303.446 4.096 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCCCO1)C1CCCC1 ZINC000754042821 1045837679 /nfs/dbraw/zinc/83/76/79/1045837679.db2.gz DSLVQMUCSGCAQY-GOSISDBHSA-N 0 1 303.446 4.096 20 10 DICDMN C/C(=C\c1ccccc1)C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000754857313 1045934480 /nfs/dbraw/zinc/93/44/80/1045934480.db2.gz OYTSTVLEJDTDGR-FOWTUZBSSA-N 0 1 318.420 4.476 20 10 DICDMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000754857313 1045934494 /nfs/dbraw/zinc/93/44/94/1045934494.db2.gz OYTSTVLEJDTDGR-FOWTUZBSSA-N 0 1 318.420 4.476 20 10 DICDMN C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000802308905 1045951620 /nfs/dbraw/zinc/95/16/20/1045951620.db2.gz KPOMXRWSKWYYQZ-UPJWGTAASA-N 0 1 311.853 4.290 20 10 DICDMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137839240 1045980771 /nfs/dbraw/zinc/98/07/71/1045980771.db2.gz XXOXXDWJOQCDMA-SFHVURJKSA-N 0 1 315.388 4.267 20 10 DICDMN CC(=O)[C@@H]1CCCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859306 1045988030 /nfs/dbraw/zinc/98/80/30/1045988030.db2.gz SGSJGWFHESISBL-FQEVSTJZSA-N 0 1 310.441 4.038 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H](CC)C1 ZINC000802657332 1046026236 /nfs/dbraw/zinc/02/62/36/1046026236.db2.gz AZWFZXSEPHCROZ-SJLPKXTDSA-N 0 1 305.462 4.200 20 10 DICDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H](CC)C1 ZINC000802657332 1046026245 /nfs/dbraw/zinc/02/62/45/1046026245.db2.gz AZWFZXSEPHCROZ-SJLPKXTDSA-N 0 1 305.462 4.200 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(C(F)(F)F)cn1 ZINC000902728407 1046052615 /nfs/dbraw/zinc/05/26/15/1046052615.db2.gz SHLMHIFYFRGHDW-GFCCVEGCSA-N 0 1 323.362 4.017 20 10 DICDMN C[C@@H]([NH2+]CCc1ccccc1)c1ccc(Br)cc1[O-] ZINC000756354939 1046067629 /nfs/dbraw/zinc/06/76/29/1046067629.db2.gz LISHXHXSQVEOJB-GFCCVEGCSA-N 0 1 320.230 4.048 20 10 DICDMN CC(C)Oc1ncccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756419282 1046079555 /nfs/dbraw/zinc/07/95/55/1046079555.db2.gz DXUFCJIZQPNZMV-GFCCVEGCSA-N 0 1 320.820 4.079 20 10 DICDMN C[C@@H]([NH2+]CCc1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000756422978 1046079922 /nfs/dbraw/zinc/07/99/22/1046079922.db2.gz PNVGFVKBTLCENS-SNVBAGLBSA-N 0 1 311.759 4.217 20 10 DICDMN C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000756419469 1046080063 /nfs/dbraw/zinc/08/00/63/1046080063.db2.gz UQPHAYIFUHABKS-JKSUJKDBSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@H]([NH2+]CCc1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000756576149 1046102036 /nfs/dbraw/zinc/10/20/36/1046102036.db2.gz KQXPXROBQCNCAX-JTQLQIEISA-N 0 1 311.759 4.217 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001138127755 1046102556 /nfs/dbraw/zinc/10/25/56/1046102556.db2.gz ONNSJKHITUDNEN-KRWDZBQOSA-N 0 1 303.352 4.398 20 10 DICDMN [O-]c1c(F)cccc1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001138122494 1046103440 /nfs/dbraw/zinc/10/34/40/1046103440.db2.gz JHNLXJSYRLSZAN-UHFFFAOYSA-N 0 1 317.791 4.474 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001138127789 1046103651 /nfs/dbraw/zinc/10/36/51/1046103651.db2.gz QILPDPSQQNJRRM-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN C[C@H]([NH2+]CCCNc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756590034 1046104895 /nfs/dbraw/zinc/10/48/95/1046104895.db2.gz NPQXVXYOFXXFFE-ZDUSSCGKSA-N 0 1 304.821 4.198 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000756628497 1046112751 /nfs/dbraw/zinc/11/27/51/1046112751.db2.gz MRVJCHLUDVKMDY-AUUYWEPGSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000756639031 1046114846 /nfs/dbraw/zinc/11/48/46/1046114846.db2.gz VQJRQYMZGRTSCN-ADLFWFRXSA-N 0 1 313.441 4.137 20 10 DICDMN C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)c2c1c(F)ccc2[O-] ZINC000756647491 1046116623 /nfs/dbraw/zinc/11/66/23/1046116623.db2.gz GZMVNTHQSXPRBM-ZFWWWQNUSA-N 0 1 321.436 4.002 20 10 DICDMN C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756661744 1046118185 /nfs/dbraw/zinc/11/81/85/1046118185.db2.gz VEZYNWWXTIUZGO-BLLLJJGKSA-N 0 1 311.853 4.028 20 10 DICDMN CC(C)c1csc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756657746 1046118887 /nfs/dbraw/zinc/11/88/87/1046118887.db2.gz FWFXAZUOEXWLFO-ZYHUDNBSSA-N 0 1 320.433 4.449 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Oc1ccccc1 ZINC000756704136 1046121930 /nfs/dbraw/zinc/12/19/30/1046121930.db2.gz FQACZZDNLOOFSU-STQMWFEESA-N 0 1 305.805 4.164 20 10 DICDMN C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756706102 1046121972 /nfs/dbraw/zinc/12/19/72/1046121972.db2.gz GWOBWLRESDWVNI-KPZWWZAWSA-N 0 1 317.816 4.010 20 10 DICDMN C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cc(Cl)ccc1[O-] ZINC000756757919 1046127363 /nfs/dbraw/zinc/12/73/63/1046127363.db2.gz OULMZADTJZZVJX-OTYXRUKQSA-N 0 1 324.207 4.483 20 10 DICDMN C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(Cl)ccc1[O-] ZINC000756757924 1046128257 /nfs/dbraw/zinc/12/82/57/1046128257.db2.gz OULMZADTJZZVJX-YMTOWFKASA-N 0 1 324.207 4.483 20 10 DICDMN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])CO2 ZINC000756758465 1046128619 /nfs/dbraw/zinc/12/86/19/1046128619.db2.gz FSYKVWXUGYHKGR-NHYWBVRUSA-N 0 1 303.789 4.138 20 10 DICDMN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756769296 1046130326 /nfs/dbraw/zinc/13/03/26/1046130326.db2.gz DONOWSKAMPCJHT-LIRRHRJNSA-N 0 1 315.457 4.239 20 10 DICDMN CC(C)OC1CCC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756770344 1046130748 /nfs/dbraw/zinc/13/07/48/1046130748.db2.gz TZIGKPNUJSMOCR-USPMSXPRSA-N 0 1 321.436 4.405 20 10 DICDMN c1cc(Oc2ccccc2)oc1CNCc1ccc2c(c1)CCO2 ZINC000779972147 1046183619 /nfs/dbraw/zinc/18/36/19/1046183619.db2.gz FIPCEIKZPQXVFL-UHFFFAOYSA-N 0 1 321.376 4.297 20 10 DICDMN C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000757654319 1046196883 /nfs/dbraw/zinc/19/68/83/1046196883.db2.gz ABUAPYAXUNAFNP-OWCLPIDISA-N 0 1 313.441 4.401 20 10 DICDMN CC[C@@H](N[C@H](c1ncccn1)C1CC1)c1cc(Cl)ccc1O ZINC000903325510 1046240187 /nfs/dbraw/zinc/24/01/87/1046240187.db2.gz IECOXSZCNZXUGR-ZBFHGGJFSA-N 0 1 317.820 4.028 20 10 DICDMN CC(C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 ZINC000832059328 1046261694 /nfs/dbraw/zinc/26/16/94/1046261694.db2.gz NCUPYTFQAVWICE-UHFFFAOYSA-N 0 1 316.228 4.142 20 10 DICDMN C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903429106 1046277146 /nfs/dbraw/zinc/27/71/46/1046277146.db2.gz RUKIZOIQFCCESI-GTNSWQLSSA-N 0 1 302.805 4.243 20 10 DICDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1F ZINC000759689954 1046372026 /nfs/dbraw/zinc/37/20/26/1046372026.db2.gz QVPOZWHTOJGCCY-UHFFFAOYSA-N 0 1 312.432 4.448 20 10 DICDMN C[N@H+](Cc1c([O-])ccc2ccncc21)CC1(c2ccccc2)CC1 ZINC000780472357 1046387679 /nfs/dbraw/zinc/38/76/79/1046387679.db2.gz FAMKLQIKNHHQBH-UHFFFAOYSA-N 0 1 318.420 4.104 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)CC1(c2ccccc2)CC1 ZINC000780472357 1046387691 /nfs/dbraw/zinc/38/76/91/1046387691.db2.gz FAMKLQIKNHHQBH-UHFFFAOYSA-N 0 1 318.420 4.104 20 10 DICDMN CC[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000780758443 1046403066 /nfs/dbraw/zinc/40/30/66/1046403066.db2.gz RVVVWIPNLPGNQJ-LPHOPBHVSA-N 0 1 317.473 4.342 20 10 DICDMN CC[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000780758443 1046403075 /nfs/dbraw/zinc/40/30/75/1046403075.db2.gz RVVVWIPNLPGNQJ-LPHOPBHVSA-N 0 1 317.473 4.342 20 10 DICDMN C[N@@H+](Cc1ccc(Oc2ccccc2)nc1)Cc1ccccc1O ZINC001139247548 1046418704 /nfs/dbraw/zinc/41/87/04/1046418704.db2.gz ILOGFOKVQCCOOE-UHFFFAOYSA-N 0 1 320.392 4.212 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001139686017 1046499260 /nfs/dbraw/zinc/49/92/60/1046499260.db2.gz JTYSCOPOJYMVJG-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139886661 1046545998 /nfs/dbraw/zinc/54/59/98/1046545998.db2.gz IATCQAPKZSPWBH-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN Cc1ccc(C(F)(F)F)cc1CN1CCc2cccc(O)c2C1 ZINC001139886661 1046546003 /nfs/dbraw/zinc/54/60/03/1046546003.db2.gz IATCQAPKZSPWBH-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cc(F)ccc1O ZINC001140060193 1046577548 /nfs/dbraw/zinc/57/75/48/1046577548.db2.gz OUQJEIKZWJYOQF-KRWDZBQOSA-N 0 1 315.388 4.015 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001140058477 1046577728 /nfs/dbraw/zinc/57/77/28/1046577728.db2.gz CEPQFLUPEHBPRL-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1Cl ZINC001140087926 1046585294 /nfs/dbraw/zinc/58/52/94/1046585294.db2.gz XQUDERDCYPWNBR-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN Oc1cccc(Br)c1CN1CC[C@H]1c1ccccc1 ZINC001140101248 1046587293 /nfs/dbraw/zinc/58/72/93/1046587293.db2.gz NCOQNOZWIZRSQO-HNNXBMFYSA-N 0 1 318.214 4.102 20 10 DICDMN CCN(Cc1ccccc1)Cc1c(O)cccc1Br ZINC001140098656 1046588366 /nfs/dbraw/zinc/58/83/66/1046588366.db2.gz JWFCGPZHFUVNJQ-UHFFFAOYSA-N 0 1 320.230 4.177 20 10 DICDMN CC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1Br ZINC001140098656 1046588378 /nfs/dbraw/zinc/58/83/78/1046588378.db2.gz JWFCGPZHFUVNJQ-UHFFFAOYSA-N 0 1 320.230 4.177 20 10 DICDMN CC[N@@H+](Cc1ccccc1)Cc1c([O-])cccc1Br ZINC001140098656 1046588390 /nfs/dbraw/zinc/58/83/90/1046588390.db2.gz JWFCGPZHFUVNJQ-UHFFFAOYSA-N 0 1 320.230 4.177 20 10 DICDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC12CCCCC2 ZINC001140100498 1046588444 /nfs/dbraw/zinc/58/84/44/1046588444.db2.gz RONOTMIIGBNOFW-UHFFFAOYSA-N 0 1 310.235 4.063 20 10 DICDMN [O-]c1cccc(Br)c1C[N@H+]1CCC12CCCCC2 ZINC001140100498 1046588456 /nfs/dbraw/zinc/58/84/56/1046588456.db2.gz RONOTMIIGBNOFW-UHFFFAOYSA-N 0 1 310.235 4.063 20 10 DICDMN CCC[N@H+](Cc1c([O-])cccc1Br)[C@@H](C)CC ZINC001140098820 1046589297 /nfs/dbraw/zinc/58/92/97/1046589297.db2.gz MOKWWIFEOYOQOH-NSHDSACASA-N 0 1 300.240 4.165 20 10 DICDMN CCC[N@@H+](Cc1c([O-])cccc1Br)[C@@H](C)CC ZINC001140098820 1046589302 /nfs/dbraw/zinc/58/93/02/1046589302.db2.gz MOKWWIFEOYOQOH-NSHDSACASA-N 0 1 300.240 4.165 20 10 DICDMN CO[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000783603546 1046613796 /nfs/dbraw/zinc/61/37/96/1046613796.db2.gz SPJBSRRNWZSRFZ-IBGZPJMESA-N 0 1 311.425 4.060 20 10 DICDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000093274653 1046620714 /nfs/dbraw/zinc/62/07/14/1046620714.db2.gz QKOFTRPFPIBAPT-CYBMUJFWSA-N 0 1 303.475 4.019 20 10 DICDMN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(Cl)ccc1[O-])CCC2 ZINC000093365001 1046626155 /nfs/dbraw/zinc/62/61/55/1046626155.db2.gz NLSRDPFBVXUMSH-AWEZNQCLSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(Cl)ccc1[O-])CCC2 ZINC000093365001 1046626158 /nfs/dbraw/zinc/62/61/58/1046626158.db2.gz NLSRDPFBVXUMSH-AWEZNQCLSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1cccc([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)c1 ZINC000784025851 1046652837 /nfs/dbraw/zinc/65/28/37/1046652837.db2.gz QDAIDJKBOLKUPC-GOSISDBHSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1cccc([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)c1 ZINC000784025851 1046652840 /nfs/dbraw/zinc/65/28/40/1046652840.db2.gz QDAIDJKBOLKUPC-GOSISDBHSA-N 0 1 318.420 4.238 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001140341198 1046666468 /nfs/dbraw/zinc/66/64/68/1046666468.db2.gz CDOMDCGORBOLMP-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001140341198 1046666470 /nfs/dbraw/zinc/66/64/70/1046666470.db2.gz CDOMDCGORBOLMP-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN Oc1cccc(Cl)c1CN1CCSC[C@@H]1c1ccccc1 ZINC001140341198 1046666476 /nfs/dbraw/zinc/66/64/76/1046666476.db2.gz CDOMDCGORBOLMP-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140344214 1046668400 /nfs/dbraw/zinc/66/84/00/1046668400.db2.gz GGJROULGFGMKCQ-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140344214 1046668407 /nfs/dbraw/zinc/66/84/07/1046668407.db2.gz GGJROULGFGMKCQ-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN CC[C@H]([NH2+]CCCC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834818545 1046676297 /nfs/dbraw/zinc/67/62/97/1046676297.db2.gz NEBTYXGSNKHLPP-INIZCTEOSA-N 0 1 311.853 4.293 20 10 DICDMN C[C@H]1C[C@@H](NCc2cc(F)cnc2Cl)c2c1c(F)ccc2O ZINC000834836282 1046680157 /nfs/dbraw/zinc/68/01/57/1046680157.db2.gz LWIOJPWAZOIYSM-QPUJVOFHSA-N 0 1 324.758 4.057 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834883948 1046698643 /nfs/dbraw/zinc/69/86/43/1046698643.db2.gz VHDGSCYNESNFKI-OLZOCXBDSA-N 0 1 309.837 4.046 20 10 DICDMN Cc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])nc1 ZINC000834909589 1046717504 /nfs/dbraw/zinc/71/75/04/1046717504.db2.gz PAPHMXJRTOUAQL-HNNXBMFYSA-N 0 1 306.409 4.142 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001140464297 1046735691 /nfs/dbraw/zinc/73/56/91/1046735691.db2.gz KCGWRTIFYIMKGN-UHFFFAOYSA-N 0 1 317.816 4.131 20 10 DICDMN COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140465615 1046738599 /nfs/dbraw/zinc/73/85/99/1046738599.db2.gz OHMZDZCWEZFEBK-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140465615 1046738617 /nfs/dbraw/zinc/73/86/17/1046738617.db2.gz OHMZDZCWEZFEBK-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN Cc1csc(C(C)(C)NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835039784 1046746499 /nfs/dbraw/zinc/74/64/99/1046746499.db2.gz LKVWWXYRKSQVGR-VOTSOKGWSA-N 0 1 315.486 4.056 20 10 DICDMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000835084539 1046755648 /nfs/dbraw/zinc/75/56/48/1046755648.db2.gz ODKBAFZQIDDKCB-LBPRGKRZSA-N 0 1 310.422 4.121 20 10 DICDMN C[C@H]1c2ccsc2CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000835084539 1046755664 /nfs/dbraw/zinc/75/56/64/1046755664.db2.gz ODKBAFZQIDDKCB-LBPRGKRZSA-N 0 1 310.422 4.121 20 10 DICDMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000835084539 1046755676 /nfs/dbraw/zinc/75/56/76/1046755676.db2.gz ODKBAFZQIDDKCB-LBPRGKRZSA-N 0 1 310.422 4.121 20 10 DICDMN Cc1cccc(CCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000797020514 1046772563 /nfs/dbraw/zinc/77/25/63/1046772563.db2.gz ZOESUHDDHFMIAA-CYBMUJFWSA-N 0 1 304.821 4.032 20 10 DICDMN C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(Cl)ccc1[O-] ZINC000797100237 1046790304 /nfs/dbraw/zinc/79/03/04/1046790304.db2.gz OVFUGGKLDGWETB-CYBMUJFWSA-N 0 1 316.832 4.213 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001140583903 1046792542 /nfs/dbraw/zinc/79/25/42/1046792542.db2.gz XZOCLMSRQJEYRN-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001140583487 1046794008 /nfs/dbraw/zinc/79/40/08/1046794008.db2.gz ITELGYJLBYFZQV-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN Cc1ccc(O)c(CN(Cc2ccccc2)Cc2ccccn2)c1 ZINC001140617456 1046813395 /nfs/dbraw/zinc/81/33/95/1046813395.db2.gz OXEVQTGDTVPDCW-UHFFFAOYSA-N 0 1 318.420 4.298 20 10 DICDMN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cc(C)ccc1O ZINC001140623691 1046816862 /nfs/dbraw/zinc/81/68/62/1046816862.db2.gz PXYWMWLLYQPXNO-GOSISDBHSA-N 0 1 311.425 4.184 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000797876883 1046899473 /nfs/dbraw/zinc/89/94/73/1046899473.db2.gz RKPFSVQOJVYOSN-YEORSEQZSA-N 0 1 305.780 4.221 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3occc3c2)c(Cl)c1 ZINC001203067246 1046900674 /nfs/dbraw/zinc/90/06/74/1046900674.db2.gz BBHMLBXFBPLPRL-UHFFFAOYSA-N 0 1 301.773 4.390 20 10 DICDMN CSc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000797878538 1046900759 /nfs/dbraw/zinc/90/07/59/1046900759.db2.gz ZANSWPQOUAIAHH-UHFFFAOYSA-N 0 1 307.846 4.100 20 10 DICDMN CN(C)c1ccc(CN2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC001140922622 1046951482 /nfs/dbraw/zinc/95/14/82/1046951482.db2.gz WTBVDEXOGBZSEU-UHFFFAOYSA-N 0 1 320.786 4.180 20 10 DICDMN COc1cc(C)cc(CN(Cc2ccccc2F)C2CC2)c1O ZINC000836364373 1046954159 /nfs/dbraw/zinc/95/41/59/1046954159.db2.gz YCTROBYVNRAUBK-UHFFFAOYSA-N 0 1 315.388 4.013 20 10 DICDMN Cc1ccc(CN(C)Cc2ccccc2Br)c(O)c1 ZINC001140948731 1046958196 /nfs/dbraw/zinc/95/81/96/1046958196.db2.gz XWQBIXHFOYIRMA-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)c(O)c1 ZINC001140948539 1046958565 /nfs/dbraw/zinc/95/85/65/1046958565.db2.gz MTMXIFLZQFPQLR-OAQYLSRUSA-N 0 1 318.420 4.107 20 10 DICDMN C[C@H]1CC=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000836786447 1046988375 /nfs/dbraw/zinc/98/83/75/1046988375.db2.gz BWJFMDLARLQALA-VIFPVBQESA-N 0 1 314.212 4.062 20 10 DICDMN Cc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000096970823 1047006991 /nfs/dbraw/zinc/00/69/91/1047006991.db2.gz COIJUURUHYXLBJ-UHFFFAOYSA-N 0 1 307.393 4.496 20 10 DICDMN Cn1cccc1C[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000760406901 1047229088 /nfs/dbraw/zinc/22/90/88/1047229088.db2.gz JJMMAHQNVPMACT-UHFFFAOYSA-N 0 1 320.392 4.262 20 10 DICDMN Cn1cccc1C[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000760406901 1047229103 /nfs/dbraw/zinc/22/91/03/1047229103.db2.gz JJMMAHQNVPMACT-UHFFFAOYSA-N 0 1 320.392 4.262 20 10 DICDMN CN(C)c1ccc(CN(C)Cc2cc3cccnc3cc2F)cc1 ZINC001141634598 1047240683 /nfs/dbraw/zinc/24/06/83/1047240683.db2.gz KHECOWGGCIPEOB-UHFFFAOYSA-N 0 1 323.415 4.072 20 10 DICDMN COc1ccc(CNCc2c(F)cccc2SC)cc1C ZINC000796441561 1047284259 /nfs/dbraw/zinc/28/42/59/1047284259.db2.gz JKBPZQKNSPONLY-UHFFFAOYSA-N 0 1 305.418 4.154 20 10 DICDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])Cc1cccc2ccccc21 ZINC001142520733 1047292778 /nfs/dbraw/zinc/29/27/78/1047292778.db2.gz OTTWOPGHIABBBM-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc2ccccc2c1[O-] ZINC001118428513 1047294940 /nfs/dbraw/zinc/29/49/40/1047294940.db2.gz UQCZTXRFGMAUHH-CAAGUOMGSA-N 0 1 303.352 4.240 20 10 DICDMN C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000390350939 1047296938 /nfs/dbraw/zinc/29/69/38/1047296938.db2.gz YSTKAEWRXMYJMO-HZPDHXFCSA-N 0 1 312.457 4.070 20 10 DICDMN CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OC ZINC000394444146 1047311334 /nfs/dbraw/zinc/31/13/34/1047311334.db2.gz LYGOOYVXRPBWEU-IYOUNJFTSA-N 0 1 301.430 4.257 20 10 DICDMN Cc1csc(CNCc2cc(-c3ccccc3)ccc2O)n1 ZINC000725845062 1047319673 /nfs/dbraw/zinc/31/96/73/1047319673.db2.gz HWVWFWDEPARJDU-UHFFFAOYSA-N 0 1 310.422 4.114 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000725848996 1047321853 /nfs/dbraw/zinc/32/18/53/1047321853.db2.gz OZWRKIIMAKUIJK-OAHLLOKOSA-N 0 1 321.779 4.188 20 10 DICDMN COCC1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000840876979 1047351886 /nfs/dbraw/zinc/35/18/86/1047351886.db2.gz VOFMUJOBWUIIOT-DNOWBOINSA-N 0 1 311.853 4.210 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(Cl)c1 ZINC000840910379 1047358105 /nfs/dbraw/zinc/35/81/05/1047358105.db2.gz ZTHWLAKKFCWJFA-CQSZACIVSA-N 0 1 323.864 4.326 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(OC3CCCC3)CC2)c(Cl)c1 ZINC000840912444 1047358529 /nfs/dbraw/zinc/35/85/29/1047358529.db2.gz IHVCGKSOKWTCHY-UHFFFAOYSA-N 0 1 323.864 4.278 20 10 DICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC2(CCCCC2)CC1 ZINC000726590948 1047366916 /nfs/dbraw/zinc/36/69/16/1047366916.db2.gz AFYYXOMWKYQRGG-UHFFFAOYSA-N 0 1 310.441 4.487 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c(Cl)c1 ZINC000841058101 1047375865 /nfs/dbraw/zinc/37/58/65/1047375865.db2.gz GHQXFTUCPGRCPI-QGZVFWFLSA-N 0 1 316.832 4.103 20 10 DICDMN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748209 1047448138 /nfs/dbraw/zinc/44/81/38/1047448138.db2.gz IICPRGQOJHJGBA-GTNSWQLSSA-N 0 1 302.805 4.243 20 10 DICDMN CCOc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745649 1047448393 /nfs/dbraw/zinc/44/83/93/1047448393.db2.gz RTNCSZVWWYSTLC-LBPRGKRZSA-N 0 1 305.805 4.295 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1F ZINC000841744741 1047448807 /nfs/dbraw/zinc/44/88/07/1047448807.db2.gz SJYLFNRMHRJPIE-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c(F)c1 ZINC000841748141 1047448895 /nfs/dbraw/zinc/44/88/95/1047448895.db2.gz HLWJAMGWVYPPCM-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN COCc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841745505 1047449058 /nfs/dbraw/zinc/44/90/58/1047449058.db2.gz YZDUZFJZRPBWRQ-LBPRGKRZSA-N 0 1 305.805 4.043 20 10 DICDMN COc1cccc(C2([NH2+][C@H](C)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000841750521 1047450209 /nfs/dbraw/zinc/45/02/09/1047450209.db2.gz RLAURUWAVQDUKN-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841748908 1047450426 /nfs/dbraw/zinc/45/04/26/1047450426.db2.gz BVWLECJJSFZAKP-ABAIWWIYSA-N 0 1 323.820 4.239 20 10 DICDMN CCc1ccc([C@H](COC)N[C@H](C)c2ccc(Cl)cc2O)o1 ZINC000841748908 1047450431 /nfs/dbraw/zinc/45/04/31/1047450431.db2.gz BVWLECJJSFZAKP-ABAIWWIYSA-N 0 1 323.820 4.239 20 10 DICDMN CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841748912 1047450763 /nfs/dbraw/zinc/45/07/63/1047450763.db2.gz BVWLECJJSFZAKP-XHDPSFHLSA-N 0 1 323.820 4.239 20 10 DICDMN CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(Cl)cc2O)o1 ZINC000841748912 1047450773 /nfs/dbraw/zinc/45/07/73/1047450773.db2.gz BVWLECJJSFZAKP-XHDPSFHLSA-N 0 1 323.820 4.239 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000841751964 1047451405 /nfs/dbraw/zinc/45/14/05/1047451405.db2.gz POESKRASBCOJAC-LKFCYVNXSA-N 0 1 308.809 4.452 20 10 DICDMN CCSc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841751782 1047451762 /nfs/dbraw/zinc/45/17/62/1047451762.db2.gz JNZJEIFJTCFAGH-LLVKDONJSA-N 0 1 322.861 4.403 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000841751966 1047451942 /nfs/dbraw/zinc/45/19/42/1047451942.db2.gz POESKRASBCOJAC-XPTSAGLGSA-N 0 1 308.809 4.452 20 10 DICDMN Cc1cc(Cl)nc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841753510 1047452469 /nfs/dbraw/zinc/45/24/69/1047452469.db2.gz UXTPLTHGSQTWKU-SNVBAGLBSA-N 0 1 311.212 4.253 20 10 DICDMN C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(Cl)cc1[O-] ZINC000841751787 1047452480 /nfs/dbraw/zinc/45/24/80/1047452480.db2.gz JSAOFJIHULFJBU-LBPRGKRZSA-N 0 1 319.832 4.124 20 10 DICDMN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765249 1047455757 /nfs/dbraw/zinc/45/57/57/1047455757.db2.gz WCTLWJKKIORDKI-ZDUSSCGKSA-N 0 1 318.848 4.271 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CC(F)F ZINC000842889812 1047512836 /nfs/dbraw/zinc/51/28/36/1047512836.db2.gz HISIZQMCVDWDIN-BDAKNGLRSA-N 0 1 322.193 4.097 20 10 DICDMN Cc1nc2c(s1)CN(Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143110644 1047532661 /nfs/dbraw/zinc/53/26/61/1047532661.db2.gz MXCSICPNSUTDCF-UHFFFAOYSA-N 0 1 316.470 4.013 20 10 DICDMN CC(C)(C)c1cc(CNCc2ccno2)c(O)c(C(C)(C)C)c1 ZINC000843403019 1047547177 /nfs/dbraw/zinc/54/71/77/1047547177.db2.gz TVAWPQROWGHQGO-UHFFFAOYSA-N 0 1 316.445 4.265 20 10 DICDMN CCN(C)c1ccc(CN(C)[C@H](C)c2ccccc2F)cc1 ZINC001307418674 1047825606 /nfs/dbraw/zinc/82/56/06/1047825606.db2.gz NYTAUKVPCBBYFB-OAHLLOKOSA-N 0 1 300.421 4.475 20 10 DICDMN COc1ccc(N(c2ccc(N)cc2)c2ccncc2C)cc1 ZINC001174539366 1047864712 /nfs/dbraw/zinc/86/47/12/1047864712.db2.gz DCDDREPYLSVAAF-UHFFFAOYSA-N 0 1 305.381 4.451 20 10 DICDMN CN(C)c1ccc(/C=C\CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC001183363236 1047919636 /nfs/dbraw/zinc/91/96/36/1047919636.db2.gz IAFZNARWGNDRNL-QTLSWZBMSA-N 0 1 312.379 4.040 20 10 DICDMN Cc1cc(O)c(CN[C@H]2c3ccccc3CC[C@H]2F)cc1Cl ZINC001183492679 1047937183 /nfs/dbraw/zinc/93/71/83/1047937183.db2.gz XXRPENYKGLSSOG-AEFFLSMTSA-N 0 1 319.807 4.469 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001203574019 1047953920 /nfs/dbraw/zinc/95/39/20/1047953920.db2.gz JWFNSUKGVPFHIB-GHMZBOCLSA-N 0 1 300.229 4.321 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@H]2CCC(F)(F)C2)ccc2ccccc21 ZINC001184239275 1048015177 /nfs/dbraw/zinc/01/51/77/1048015177.db2.gz LDTHZGWCOCVJLS-CYBMUJFWSA-N 0 1 305.368 4.461 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000776012415 1048086905 /nfs/dbraw/zinc/08/69/05/1048086905.db2.gz GPRJIEABSWTADS-MWLCHTKSSA-N 0 1 307.743 4.208 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2(c3ccccc3C)CC2)c(Cl)c1 ZINC001199972447 1048128510 /nfs/dbraw/zinc/12/85/10/1048128510.db2.gz RPUHGGYODPEKGX-UHFFFAOYSA-N 0 1 315.844 4.484 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(Cl)c1 ZINC001201380569 1048255089 /nfs/dbraw/zinc/25/50/89/1048255089.db2.gz RPAAZOQGBKDZRP-KHYOSLBOSA-N 0 1 313.828 4.030 20 10 DICDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC001203648823 1048357674 /nfs/dbraw/zinc/35/76/74/1048357674.db2.gz VVNVEBKTUCSOAO-YEORSEQZSA-N 0 1 312.251 4.165 20 10 DICDMN C[C@H]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC001203648823 1048357662 /nfs/dbraw/zinc/35/76/62/1048357662.db2.gz VVNVEBKTUCSOAO-YEORSEQZSA-N 0 1 312.251 4.165 20 10 DICDMN CC[C@@H]([NH2+]Cc1occc1C)c1cc(Br)ccc1[O-] ZINC000388728103 1048584573 /nfs/dbraw/zinc/58/45/73/1048584573.db2.gz IFCGRTKLBCIUOT-CYBMUJFWSA-N 0 1 324.218 4.297 20 10 DICDMN CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850536621 1048684773 /nfs/dbraw/zinc/68/47/73/1048684773.db2.gz MBIROYQUQDXMNC-DGCLKSJQSA-N 0 1 323.305 4.497 20 10 DICDMN COCc1csc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000850531815 1048685422 /nfs/dbraw/zinc/68/54/22/1048685422.db2.gz HTEIPEHKVNAZEP-SNVBAGLBSA-N 0 1 311.834 4.104 20 10 DICDMN CC[C@H]([NH2+]CCC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850569138 1048696919 /nfs/dbraw/zinc/69/69/19/1048696919.db2.gz VEIKZNKDNDVKLZ-LBPRGKRZSA-N 0 1 317.907 4.283 20 10 DICDMN C[C@@H](NCc1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000775360154 1048702549 /nfs/dbraw/zinc/70/25/49/1048702549.db2.gz AFXLQMBWPZBCJO-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC001206707385 1048709346 /nfs/dbraw/zinc/70/93/46/1048709346.db2.gz HLPPUJHXBITCQU-QGZVFWFLSA-N 0 1 302.805 4.072 20 10 DICDMN CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776498588 1048722662 /nfs/dbraw/zinc/72/26/62/1048722662.db2.gz OQCSGXDNVFCKGJ-GTNSWQLSSA-N 0 1 323.795 4.051 20 10 DICDMN CCN(CC)c1ccc(CNCc2ccc(Cl)cn2)cc1F ZINC000776497247 1048723214 /nfs/dbraw/zinc/72/32/14/1048723214.db2.gz SLKCJADKDKTDOX-UHFFFAOYSA-N 0 1 321.827 4.010 20 10 DICDMN [O-]c1ccccc1C[N@H+](CCCOC(F)(F)F)C1CCCC1 ZINC001190894395 1048798191 /nfs/dbraw/zinc/79/81/91/1048798191.db2.gz CTJPZNTWVXHHMR-UHFFFAOYSA-N 0 1 317.351 4.063 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CCCOC(F)(F)F)C1CCCC1 ZINC001190894395 1048798198 /nfs/dbraw/zinc/79/81/98/1048798198.db2.gz CTJPZNTWVXHHMR-UHFFFAOYSA-N 0 1 317.351 4.063 20 10 DICDMN C[C@H](NCc1nsc2ccccc12)c1ccc(N(C)C)cc1 ZINC000851951162 1048815488 /nfs/dbraw/zinc/81/54/88/1048815488.db2.gz VKPQPONJJSZRAJ-ZDUSSCGKSA-N 0 1 311.454 4.213 20 10 DICDMN COCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581003 1048934667 /nfs/dbraw/zinc/93/46/67/1048934667.db2.gz YDPMJWULRUOWCA-ZDUSSCGKSA-N 0 1 318.244 4.090 20 10 DICDMN CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203579982 1048934736 /nfs/dbraw/zinc/93/47/36/1048934736.db2.gz HYJVMLCVEGIUBE-UHFFFAOYSA-N 0 1 311.212 4.116 20 10 DICDMN Cc1cc(C)c(O)c(CN(C)Cc2nc3ccccc3s2)c1 ZINC000111898409 1048939723 /nfs/dbraw/zinc/93/97/23/1048939723.db2.gz SULXVSGLKUOZAL-UHFFFAOYSA-N 0 1 312.438 4.251 20 10 DICDMN COc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2F)c(O)c1 ZINC001203634465 1048944286 /nfs/dbraw/zinc/94/42/86/1048944286.db2.gz HIIDYCGVJCCPKU-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN Cc1ccc(C[N@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC001203642901 1048944593 /nfs/dbraw/zinc/94/45/93/1048944593.db2.gz PUSPLTYVXCICNZ-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC001203642901 1048944601 /nfs/dbraw/zinc/94/46/01/1048944601.db2.gz PUSPLTYVXCICNZ-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1ccc(C[N@H+](C)Cc2cc(Br)ccc2[O-])cc1 ZINC001203642901 1048944606 /nfs/dbraw/zinc/94/46/06/1048944606.db2.gz PUSPLTYVXCICNZ-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1cccc2cccnc21 ZINC001203657349 1048950887 /nfs/dbraw/zinc/95/08/87/1048950887.db2.gz JMMABLZCYFGPRZ-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1cccc2cccnc21 ZINC001203657349 1048950894 /nfs/dbraw/zinc/95/08/94/1048950894.db2.gz JMMABLZCYFGPRZ-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC001203664267 1048952891 /nfs/dbraw/zinc/95/28/91/1048952891.db2.gz UUNHGBUYDPRUCC-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC001203664267 1048952901 /nfs/dbraw/zinc/95/29/01/1048952901.db2.gz UUNHGBUYDPRUCC-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1[O-])CCC2 ZINC001203664597 1048953703 /nfs/dbraw/zinc/95/37/03/1048953703.db2.gz MMNIPICFWITMCZ-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1[O-])CCC2 ZINC001203664597 1048953715 /nfs/dbraw/zinc/95/37/15/1048953715.db2.gz MMNIPICFWITMCZ-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001203684097 1048962713 /nfs/dbraw/zinc/96/27/13/1048962713.db2.gz MUROKQQNAXWBMB-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN CC[C@H]([NH2+]Cc1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775484606 1049002801 /nfs/dbraw/zinc/00/28/01/1049002801.db2.gz GKXWGAJMXJCLPE-INIZCTEOSA-N 0 1 305.805 4.295 20 10 DICDMN CC[C@H]([NH2+]C[C@H](OC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775493880 1049026143 /nfs/dbraw/zinc/02/61/43/1049026143.db2.gz VYLIAEZCUZAJLJ-WMZOPIPTSA-N 0 1 319.832 4.474 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775499361 1049035875 /nfs/dbraw/zinc/03/58/75/1049035875.db2.gz RGEGLBPMPYZBJG-QGZVFWFLSA-N 0 1 318.848 4.353 20 10 DICDMN CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(Cl)ccc1[O-] ZINC000775499360 1049036077 /nfs/dbraw/zinc/03/60/77/1049036077.db2.gz RGEGLBPMPYZBJG-KRWDZBQOSA-N 0 1 318.848 4.353 20 10 DICDMN CCN(CC)c1ccc(C[N@@H+](CC)Cc2ccccc2O)cc1 ZINC001203941926 1049038078 /nfs/dbraw/zinc/03/80/78/1049038078.db2.gz HDOOAXOXJAQATM-UHFFFAOYSA-N 0 1 312.457 4.261 20 10 DICDMN CCc1cnc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])s1 ZINC000775508002 1049048098 /nfs/dbraw/zinc/04/80/98/1049048098.db2.gz GRCVHWKZKHAJTH-ZDUSSCGKSA-N 0 1 310.850 4.305 20 10 DICDMN CCc1cnc(CN[C@@H](CC)c2cc(Cl)ccc2O)s1 ZINC000775508002 1049048110 /nfs/dbraw/zinc/04/81/10/1049048110.db2.gz GRCVHWKZKHAJTH-ZDUSSCGKSA-N 0 1 310.850 4.305 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775513339 1049049761 /nfs/dbraw/zinc/04/97/61/1049049761.db2.gz XKRCSLWXSVIHMD-LRDDRELGSA-N 0 1 304.821 4.113 20 10 DICDMN CC[C@H]([NH2+][C@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775511104 1049054050 /nfs/dbraw/zinc/05/40/50/1049054050.db2.gz BEJOUNSZZWLXKD-LSDHHAIUSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@H](N[C@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775511104 1049054058 /nfs/dbraw/zinc/05/40/58/1049054058.db2.gz BEJOUNSZZWLXKD-LSDHHAIUSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775511619 1049056388 /nfs/dbraw/zinc/05/63/88/1049056388.db2.gz FRZFPLOEPBVLDI-DLBZAZTESA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+]CCNc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775512911 1049056666 /nfs/dbraw/zinc/05/66/66/1049056666.db2.gz SCURDCWPKOHTGI-INIZCTEOSA-N 0 1 304.821 4.198 20 10 DICDMN CC[C@@H]([NH2+]CCNc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775512912 1049057823 /nfs/dbraw/zinc/05/78/23/1049057823.db2.gz SCURDCWPKOHTGI-MRXNPFEDSA-N 0 1 304.821 4.198 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000775518104 1049074184 /nfs/dbraw/zinc/07/41/84/1049074184.db2.gz CVEDSCZKSVZYOR-KMFMINBZSA-N 0 1 311.853 4.290 20 10 DICDMN CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775522771 1049081555 /nfs/dbraw/zinc/08/15/55/1049081555.db2.gz ZWJSHNZVISMISO-WMZOPIPTSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+]Cc1ccccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000775522833 1049081687 /nfs/dbraw/zinc/08/16/87/1049081687.db2.gz BTUCPLZFYQBYCM-INIZCTEOSA-N 0 1 318.848 4.353 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000775522834 1049081715 /nfs/dbraw/zinc/08/17/15/1049081715.db2.gz BTUCPLZFYQBYCM-MRXNPFEDSA-N 0 1 318.848 4.353 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1[O-] ZINC000775522647 1049083201 /nfs/dbraw/zinc/08/32/01/1049083201.db2.gz WMAOZRGUEIFRTO-KRWDZBQOSA-N 0 1 317.816 4.317 20 10 DICDMN CCOCCC1(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775523822 1049086254 /nfs/dbraw/zinc/08/62/54/1049086254.db2.gz NVTMGNSUWQSWHJ-OAHLLOKOSA-N 0 1 311.853 4.293 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775523520 1049087455 /nfs/dbraw/zinc/08/74/55/1049087455.db2.gz JQCSCTQNOCKFTG-BMIGLBTASA-N 0 1 322.836 4.495 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1[O-] ZINC001192471929 1049103096 /nfs/dbraw/zinc/10/30/96/1049103096.db2.gz SZWJNQRGBTXWIQ-CYBMUJFWSA-N 0 1 307.821 4.036 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+]CC1(C2CCC2)CCC1 ZINC001178872561 1049103324 /nfs/dbraw/zinc/10/33/24/1049103324.db2.gz KKQRYFNZJXEYEZ-UHFFFAOYSA-N 0 1 324.262 4.215 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C1CCCCC1 ZINC001192585624 1049119496 /nfs/dbraw/zinc/11/94/96/1049119496.db2.gz XZCPCOULRLBYEK-QGZVFWFLSA-N 0 1 307.409 4.182 20 10 DICDMN Cc1ccnc(NC/C=C\c2ccc(N(C)C)cc2)c1C1CC1 ZINC001179094717 1049129709 /nfs/dbraw/zinc/12/97/09/1049129709.db2.gz AACDOQZQTQPMAQ-PLNGDYQASA-N 0 1 307.441 4.459 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CCOC)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775546766 1049136310 /nfs/dbraw/zinc/13/63/10/1049136310.db2.gz KZOUZXZWDBSWCI-CABCVRRESA-N 0 1 323.820 4.457 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cc(Cl)ccc1[O-] ZINC000775551023 1049142368 /nfs/dbraw/zinc/14/23/68/1049142368.db2.gz GIRYJMNPCIJCGU-GXFFZTMASA-N 0 1 310.850 4.347 20 10 DICDMN CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775550825 1049143281 /nfs/dbraw/zinc/14/32/81/1049143281.db2.gz CGJKTJWGKSVHKH-XEZPLFJOSA-N 0 1 311.853 4.292 20 10 DICDMN CC[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775554587 1049147279 /nfs/dbraw/zinc/14/72/79/1049147279.db2.gz BVDUYCNEGSGPAV-GDBMZVCRSA-N 0 1 311.853 4.436 20 10 DICDMN CCN(C)c1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000773813848 1049171410 /nfs/dbraw/zinc/17/14/10/1049171410.db2.gz WLDOCHRQGKBVLD-ZDUSSCGKSA-N 0 1 304.384 4.272 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2CCCCCC2)c1[O-] ZINC001193261990 1049192614 /nfs/dbraw/zinc/19/26/14/1049192614.db2.gz XUFJLRUIBPUVAT-GFCCVEGCSA-N 0 1 307.409 4.182 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC001179931274 1049230174 /nfs/dbraw/zinc/23/01/74/1049230174.db2.gz KLNNPRHXPSPRFX-UHFFFAOYSA-N 0 1 319.807 4.392 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC(C)(C)C2(C)C)c1 ZINC001204770015 1049259293 /nfs/dbraw/zinc/25/92/93/1049259293.db2.gz YGAZPNPTUDCYAQ-UHFFFAOYSA-N 0 1 312.251 4.084 20 10 DICDMN CCN(C)c1ccc(CNC2(c3nc(C)cs3)CCC2)cc1 ZINC000773840496 1049288029 /nfs/dbraw/zinc/28/80/29/1049288029.db2.gz ROFZKCXWTILCCS-UHFFFAOYSA-N 0 1 315.486 4.077 20 10 DICDMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001204916763 1049310784 /nfs/dbraw/zinc/31/07/84/1049310784.db2.gz SFTZJECJKCFEHP-CYBMUJFWSA-N 0 1 319.807 4.483 20 10 DICDMN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(Cl)cc1[O-])CCC2 ZINC001204924568 1049312708 /nfs/dbraw/zinc/31/27/08/1049312708.db2.gz XEMUNOBKLILIGH-AWEZNQCLSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(Cl)cc1[O-])CCC2 ZINC001204924568 1049312713 /nfs/dbraw/zinc/31/27/13/1049312713.db2.gz XEMUNOBKLILIGH-AWEZNQCLSA-N 0 1 322.861 4.320 20 10 DICDMN CCCN(Cc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001180497888 1049376212 /nfs/dbraw/zinc/37/62/12/1049376212.db2.gz XZBVPFIXRQTKQX-UHFFFAOYSA-N 0 1 318.411 4.443 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)ccc(F)c1F ZINC001205171241 1049401460 /nfs/dbraw/zinc/40/14/60/1049401460.db2.gz YVIPOUZDROZEPT-HNNXBMFYSA-N 0 1 307.315 4.147 20 10 DICDMN CCC[N@@H+](CCc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC001205262528 1049419974 /nfs/dbraw/zinc/41/99/74/1049419974.db2.gz WATHXGZJFVPIEQ-UHFFFAOYSA-N 0 1 311.397 4.187 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC12CCCCC2 ZINC001181087487 1049435312 /nfs/dbraw/zinc/43/53/12/1049435312.db2.gz MBYZVSLJXWNVDV-ZDUSSCGKSA-N 0 1 309.400 4.463 20 10 DICDMN Oc1c(CN2CC3(CCC3)c3c2cccc3F)ccc(F)c1F ZINC001205335483 1049442322 /nfs/dbraw/zinc/44/23/22/1049442322.db2.gz SCFYFFCSDQLHKK-UHFFFAOYSA-N 0 1 319.326 4.251 20 10 DICDMN CC[N@H+](Cc1cc(C)cc(Br)c1[O-])CC1CCC1 ZINC001181175718 1049449668 /nfs/dbraw/zinc/44/96/68/1049449668.db2.gz TVJLAVTUOBXQOO-UHFFFAOYSA-N 0 1 312.251 4.085 20 10 DICDMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001205403087 1049461777 /nfs/dbraw/zinc/46/17/77/1049461777.db2.gz QQSHRHLNUAUTLD-MDWZMJQESA-N 0 1 303.352 4.206 20 10 DICDMN Cc1cnc(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)s1 ZINC001205409598 1049464014 /nfs/dbraw/zinc/46/40/14/1049464014.db2.gz XBJWZBAGTUWQIZ-UHFFFAOYSA-N 0 1 322.861 4.190 20 10 DICDMN Cc1ccc(C(C)(C)C[NH2+]Cc2ccc3ccccc3c2[O-])nc1 ZINC000862480830 1049495375 /nfs/dbraw/zinc/49/53/75/1049495375.db2.gz MGFIVFVOXNQBBL-UHFFFAOYSA-N 0 1 320.436 4.316 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000775649930 1049520575 /nfs/dbraw/zinc/52/05/75/1049520575.db2.gz UZMPJDQHXSPBGF-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc(Cl)n1 ZINC000149781305 1049531081 /nfs/dbraw/zinc/53/10/81/1049531081.db2.gz IKWGEGYGISDSPW-UHFFFAOYSA-N 0 1 303.576 4.360 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000775660632 1049539073 /nfs/dbraw/zinc/53/90/73/1049539073.db2.gz GEVYQZZLQTWLEP-MRXNPFEDSA-N 0 1 321.779 4.227 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000775682468 1049602970 /nfs/dbraw/zinc/60/29/70/1049602970.db2.gz XYPQFAAZCSWGHP-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN Oc1c(CNc2ccccc2OCC2CC2)ccc(F)c1F ZINC000864021311 1049626309 /nfs/dbraw/zinc/62/63/09/1049626309.db2.gz AFLDPHJQRPLVQV-UHFFFAOYSA-N 0 1 305.324 4.071 20 10 DICDMN Oc1c(CNc2ccc(OC3CCC3)c(F)c2)ccc(F)c1F ZINC000864031046 1049631705 /nfs/dbraw/zinc/63/17/05/1049631705.db2.gz UEPZQMNXJYHVEV-UHFFFAOYSA-N 0 1 323.314 4.353 20 10 DICDMN CN(C)c1c(Cl)cccc1NCc1ccc(F)c(F)c1O ZINC000864030737 1049632045 /nfs/dbraw/zinc/63/20/45/1049632045.db2.gz OWJPPDXZNIWVCW-UHFFFAOYSA-N 0 1 312.747 4.002 20 10 DICDMN COc1cc(NCc2ccc(F)c(F)c2O)ccc1OC(C)C ZINC000864033928 1049632877 /nfs/dbraw/zinc/63/28/77/1049632877.db2.gz NPZSBRKMRHCKNC-UHFFFAOYSA-N 0 1 323.339 4.078 20 10 DICDMN Oc1c(CNc2ccc(OC(F)F)cc2F)ccc(F)c1F ZINC000864035735 1049633007 /nfs/dbraw/zinc/63/30/07/1049633007.db2.gz DYKXPHSQADZNFW-UHFFFAOYSA-N 0 1 319.229 4.023 20 10 DICDMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001182435859 1049650563 /nfs/dbraw/zinc/65/05/63/1049650563.db2.gz XDNATHNOMPCQJY-OAHLLOKOSA-N 0 1 317.379 4.439 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000775724695 1049668667 /nfs/dbraw/zinc/66/86/67/1049668667.db2.gz MWFJGOQSMXPMQO-KBPBESRZSA-N 0 1 315.841 4.045 20 10 DICDMN CCO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000774494895 1049678316 /nfs/dbraw/zinc/67/83/16/1049678316.db2.gz GSBJWOALCUHOJF-ACJLOTCBSA-N 0 1 319.832 4.474 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1Cl ZINC001206691711 1049779987 /nfs/dbraw/zinc/77/99/87/1049779987.db2.gz NNZRHFNFZFVLBR-SFHVURJKSA-N 0 1 323.864 4.135 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001207103112 1049834064 /nfs/dbraw/zinc/83/40/64/1049834064.db2.gz VGVIMNOFQWXQTQ-HNNXBMFYSA-N 0 1 308.208 4.476 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2CCSC3(CCC3)C2)ccc2ccccc21 ZINC001207719425 1049931041 /nfs/dbraw/zinc/93/10/41/1049931041.db2.gz ILMKWPGSNBURMD-MRXNPFEDSA-N 0 1 313.466 4.453 20 10 DICDMN COC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCCCCC1 ZINC001207746011 1049933096 /nfs/dbraw/zinc/93/30/96/1049933096.db2.gz UXBVAWHVDDFTHG-UHFFFAOYSA-N 0 1 311.853 4.183 20 10 DICDMN CCN(Cc1cnc(C2CC2)s1)Cc1ccc(N(C)C)cc1 ZINC000156849726 1049993946 /nfs/dbraw/zinc/99/39/46/1049993946.db2.gz UNBUOZWHWUUWKM-UHFFFAOYSA-N 0 1 315.486 4.109 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000282652423 1050172120 /nfs/dbraw/zinc/17/21/20/1050172120.db2.gz ICQLYUUNTWNFCB-BLLLJJGKSA-N 0 1 309.837 4.046 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)cc1)c1nc2ccccc2s1 ZINC000378871044 1050190326 /nfs/dbraw/zinc/19/03/26/1050190326.db2.gz NRNVTRCVRZARKJ-ZDUSSCGKSA-N 0 1 311.454 4.213 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000824483085 1050214231 /nfs/dbraw/zinc/21/42/31/1050214231.db2.gz HLCVZZUPYZBEOL-LLVKDONJSA-N 0 1 305.830 4.025 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(OC3CCCC3)CC2)cc1Cl ZINC000824657105 1050229631 /nfs/dbraw/zinc/22/96/31/1050229631.db2.gz NKHODNVRVSTEEH-UHFFFAOYSA-N 0 1 323.864 4.278 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)CCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824653982 1050230645 /nfs/dbraw/zinc/23/06/45/1050230645.db2.gz KBFHDCZKEFLIRS-FZMZJTMJSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000824702534 1050235413 /nfs/dbraw/zinc/23/54/13/1050235413.db2.gz NEIQYFXXQFRFEI-GWCFXTLKSA-N 0 1 319.367 4.001 20 10 DICDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1(Cl)Cl ZINC000824780333 1050244118 /nfs/dbraw/zinc/24/41/18/1050244118.db2.gz KOHKQQJQZYAAJX-OAHLLOKOSA-N 0 1 310.224 4.219 20 10 DICDMN CC[C@@H]([NH2+]Cc1cnccc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000824908626 1050253114 /nfs/dbraw/zinc/25/31/14/1050253114.db2.gz AKGFJITUMCOPDB-OAHLLOKOSA-N 0 1 324.346 4.355 20 10 DICDMN CCOc1ccc(CN2CC3(CCC3)[C@H]2c2ccco2)c(O)c1 ZINC000825104347 1050270236 /nfs/dbraw/zinc/27/02/36/1050270236.db2.gz USAGDRNPSYJYTC-GOSISDBHSA-N 0 1 313.397 4.111 20 10 DICDMN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825168467 1050282031 /nfs/dbraw/zinc/28/20/31/1050282031.db2.gz YGWWSUIHRCOJCQ-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1Cl ZINC000825222282 1050284078 /nfs/dbraw/zinc/28/40/78/1050284078.db2.gz CDIBIGROOMAAEZ-OAHLLOKOSA-N 0 1 321.779 4.107 20 10 DICDMN CCc1nc([C@@H](C)NCc2cc(Cl)c(C)cc2O)cs1 ZINC000825291537 1050291547 /nfs/dbraw/zinc/29/15/47/1050291547.db2.gz NCQMFDZVDCPVEP-SNVBAGLBSA-N 0 1 310.850 4.224 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1c(C)noc1C ZINC000825385078 1050302352 /nfs/dbraw/zinc/30/23/52/1050302352.db2.gz PQWMAGLNICQMDC-CQSZACIVSA-N 0 1 308.809 4.200 20 10 DICDMN Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])CCC2 ZINC000825469442 1050309838 /nfs/dbraw/zinc/30/98/38/1050309838.db2.gz XZRGHYKDVYHOOU-ZDUSSCGKSA-N 0 1 322.861 4.286 20 10 DICDMN CCN(Cc1ccccc1O)Cc1ccc(F)c(Cl)c1F ZINC001143627546 1050321644 /nfs/dbraw/zinc/32/16/44/1050321644.db2.gz RVGYIIYUGFOOOP-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CCOc1c(Cl)ccc(CN(C)Cc2ccccc2O)c1F ZINC001143832749 1050375606 /nfs/dbraw/zinc/37/56/06/1050375606.db2.gz IPYUNIYVLVKNGK-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN COC[C@H](NCc1ccc(OC)c(C)c1)c1ccc(Cl)cc1 ZINC000785543404 1050387722 /nfs/dbraw/zinc/38/77/22/1050387722.db2.gz DPPSQSXDGOKQQK-KRWDZBQOSA-N 0 1 319.832 4.134 20 10 DICDMN CCc1ccccc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226163224 1050401576 /nfs/dbraw/zinc/40/15/76/1050401576.db2.gz BFHJKDRFBACBJZ-UHFFFAOYSA-N 0 1 320.230 4.007 20 10 DICDMN CCN(Cc1scnc1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000787049060 1050546074 /nfs/dbraw/zinc/54/60/74/1050546074.db2.gz LFYMIRMFYWGUDJ-UHFFFAOYSA-N 0 1 315.486 4.109 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1)Cc1ccccc1O ZINC001144489980 1050600204 /nfs/dbraw/zinc/60/02/04/1050600204.db2.gz RTIQWWAAPMYRNP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN Cc1ccccc1C[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000746709365 1050625039 /nfs/dbraw/zinc/62/50/39/1050625039.db2.gz OCJMMQFMJXSDJQ-UHFFFAOYSA-N 0 1 318.420 4.413 20 10 DICDMN Cc1ccccc1C[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000746709365 1050625043 /nfs/dbraw/zinc/62/50/43/1050625043.db2.gz OCJMMQFMJXSDJQ-UHFFFAOYSA-N 0 1 318.420 4.413 20 10 DICDMN C[C@]1(CC[NH2+]Cc2ccc3ccccc3c2[O-])C[C@@]1(F)Cl ZINC000846031584 1050650843 /nfs/dbraw/zinc/65/08/43/1050650843.db2.gz ASJFTTWVPNNFSG-IRXDYDNUSA-N 0 1 307.796 4.340 20 10 DICDMN CC(C)(C)c1cnc(CNCc2cc(Cl)ccc2O)s1 ZINC000846055804 1050660064 /nfs/dbraw/zinc/66/00/64/1050660064.db2.gz OAEOYFAQSLMNNW-UHFFFAOYSA-N 0 1 310.850 4.089 20 10 DICDMN COc1cccc([C@H](C)NC2(c3ccccc3Cl)CC2)c1O ZINC000846171380 1050680415 /nfs/dbraw/zinc/68/04/15/1050680415.db2.gz GARHQVSCAJWEFX-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN COc1cccc([C@@H](C)N[C@@H](C)c2c(F)cccc2F)c1O ZINC000846145743 1050684240 /nfs/dbraw/zinc/68/42/40/1050684240.db2.gz QBHCMLAOTQFMAM-MNOVXSKESA-N 0 1 307.340 4.091 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189883 1050690369 /nfs/dbraw/zinc/69/03/69/1050690369.db2.gz 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CNLYDUYDQQWELC-UHFFFAOYSA-N 0 1 303.780 4.221 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC(F)(F)C(C)(C)C2)cc1Cl ZINC001231866743 1053894144 /nfs/dbraw/zinc/89/41/44/1053894144.db2.gz CNLYDUYDQQWELC-UHFFFAOYSA-N 0 1 303.780 4.221 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCC(=O)c2cccs2)cc1Cl ZINC001231870406 1053897101 /nfs/dbraw/zinc/89/71/01/1053897101.db2.gz YVLMFZNGGJXQAE-UHFFFAOYSA-N 0 1 323.845 4.120 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCC(=O)c2cccs2)cc1Cl ZINC001231870406 1053897123 /nfs/dbraw/zinc/89/71/23/1053897123.db2.gz YVLMFZNGGJXQAE-UHFFFAOYSA-N 0 1 323.845 4.120 20 10 DICDMN CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231869958 1053898011 /nfs/dbraw/zinc/89/80/11/1053898011.db2.gz BYBUTDJXLIRFNZ-UHFFFAOYSA-N 0 1 318.848 4.204 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231869958 1053898024 /nfs/dbraw/zinc/89/80/24/1053898024.db2.gz BYBUTDJXLIRFNZ-UHFFFAOYSA-N 0 1 318.848 4.204 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CC/C=C/c2cccnc2)cc1Cl ZINC001231870040 1053898704 /nfs/dbraw/zinc/89/87/04/1053898704.db2.gz GYJCMDVGGGQVAA-ZZXKWVIFSA-N 0 1 316.832 4.284 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CC/C=C/c2cccnc2)cc1Cl ZINC001231870040 1053898705 /nfs/dbraw/zinc/89/87/05/1053898705.db2.gz GYJCMDVGGGQVAA-ZZXKWVIFSA-N 0 1 316.832 4.284 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1Cl ZINC001231870953 1053900095 /nfs/dbraw/zinc/90/00/95/1053900095.db2.gz WVTSKVWMNMKAJU-INIZCTEOSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1Cl ZINC001231870953 1053900105 /nfs/dbraw/zinc/90/01/05/1053900105.db2.gz WVTSKVWMNMKAJU-INIZCTEOSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1Cl ZINC001231870953 1053900110 /nfs/dbraw/zinc/90/01/10/1053900110.db2.gz WVTSKVWMNMKAJU-INIZCTEOSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1cc(O)c(C[N@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001231871963 1053900624 /nfs/dbraw/zinc/90/06/24/1053900624.db2.gz SOFLGBOHAKETMG-KRWDZBQOSA-N 0 1 301.817 4.473 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001231871963 1053900638 /nfs/dbraw/zinc/90/06/38/1053900638.db2.gz SOFLGBOHAKETMG-KRWDZBQOSA-N 0 1 301.817 4.473 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001231871963 1053900655 /nfs/dbraw/zinc/90/06/55/1053900655.db2.gz SOFLGBOHAKETMG-KRWDZBQOSA-N 0 1 301.817 4.473 20 10 DICDMN [O-]c1c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)ccc2ccccc21 ZINC001231879973 1053902692 /nfs/dbraw/zinc/90/26/92/1053902692.db2.gz YUHABKVRVFIOSE-GASCZTMLSA-N 0 1 303.352 4.023 20 10 DICDMN [O-]c1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)ccc2ccccc21 ZINC001231879973 1053902702 /nfs/dbraw/zinc/90/27/02/1053902702.db2.gz YUHABKVRVFIOSE-GASCZTMLSA-N 0 1 303.352 4.023 20 10 DICDMN [O-]c1c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc2ccccc21 ZINC001231879957 1053902774 /nfs/dbraw/zinc/90/27/74/1053902774.db2.gz YKSPBMUJTPOEHU-GASCZTMLSA-N 0 1 303.352 4.023 20 10 DICDMN [O-]c1c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc2ccccc21 ZINC001231879957 1053902783 /nfs/dbraw/zinc/90/27/83/1053902783.db2.gz YKSPBMUJTPOEHU-GASCZTMLSA-N 0 1 303.352 4.023 20 10 DICDMN C[N@@H+](CCc1ccccc1F)Cc1ccc2ccccc2c1O ZINC001231883923 1053906056 /nfs/dbraw/zinc/90/60/56/1053906056.db2.gz VFWROMYFGKFRQF-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN C[N@H+](CCc1ccccc1F)Cc1ccc2ccccc2c1[O-] ZINC001231883923 1053906060 /nfs/dbraw/zinc/90/60/60/1053906060.db2.gz VFWROMYFGKFRQF-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN C[N@@H+](CCc1ccccc1F)Cc1ccc2ccccc2c1[O-] ZINC001231883923 1053906069 /nfs/dbraw/zinc/90/60/69/1053906069.db2.gz VFWROMYFGKFRQF-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN Oc1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882661 1053906302 /nfs/dbraw/zinc/90/63/02/1053906302.db2.gz RBTFXVSQTQMHLS-LJQANCHMSA-N 0 1 319.404 4.199 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882661 1053906311 /nfs/dbraw/zinc/90/63/11/1053906311.db2.gz RBTFXVSQTQMHLS-LJQANCHMSA-N 0 1 319.404 4.199 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882661 1053906316 /nfs/dbraw/zinc/90/63/16/1053906316.db2.gz RBTFXVSQTQMHLS-LJQANCHMSA-N 0 1 319.404 4.199 20 10 DICDMN Oc1c(C[N@H+]2CCc3c(F)cccc3C2)ccc2ccccc21 ZINC001231881559 1053906416 /nfs/dbraw/zinc/90/64/16/1053906416.db2.gz WSDURAKRKQHYKS-UHFFFAOYSA-N 0 1 307.368 4.243 20 10 DICDMN [O-]c1c(C[N@@H+]2CCc3c(F)cccc3C2)ccc2ccccc21 ZINC001231881559 1053906422 /nfs/dbraw/zinc/90/64/22/1053906422.db2.gz WSDURAKRKQHYKS-UHFFFAOYSA-N 0 1 307.368 4.243 20 10 DICDMN [O-]c1c(C[N@H+]2CCc3c(F)cccc3C2)ccc2ccccc21 ZINC001231881559 1053906432 /nfs/dbraw/zinc/90/64/32/1053906432.db2.gz WSDURAKRKQHYKS-UHFFFAOYSA-N 0 1 307.368 4.243 20 10 DICDMN [O-]c1c(C[NH+]2CCc3ccccc3CC2)ccc2ccccc21 ZINC001231881824 1053907216 /nfs/dbraw/zinc/90/72/16/1053907216.db2.gz ITVSNFRRZPSUDH-UHFFFAOYSA-N 0 1 303.405 4.146 20 10 DICDMN C[C@@H]1C(=O)CC[N@@H+](Cc2ccc3ccccc3c2O)C12CCCC2 ZINC001231883371 1053907234 /nfs/dbraw/zinc/90/72/34/1053907234.db2.gz IYEFNJFJJGRCNZ-OAHLLOKOSA-N 0 1 323.436 4.269 20 10 DICDMN C[C@@H]1C(=O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C12CCCC2 ZINC001231883371 1053907245 /nfs/dbraw/zinc/90/72/45/1053907245.db2.gz IYEFNJFJJGRCNZ-OAHLLOKOSA-N 0 1 323.436 4.269 20 10 DICDMN C[C@@H]1C(=O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C12CCCC2 ZINC001231883371 1053907259 /nfs/dbraw/zinc/90/72/59/1053907259.db2.gz IYEFNJFJJGRCNZ-OAHLLOKOSA-N 0 1 323.436 4.269 20 10 DICDMN CC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)ccc1[O-] ZINC001328103800 1053907610 /nfs/dbraw/zinc/90/76/10/1053907610.db2.gz RATVVZROLAOUKF-RYDUCSDGSA-N 0 1 301.764 4.130 20 10 DICDMN CC[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cc(Cl)ccc1[O-] ZINC001328103799 1053907960 /nfs/dbraw/zinc/90/79/60/1053907960.db2.gz RATVVZROLAOUKF-GWNIPJSYSA-N 0 1 301.764 4.130 20 10 DICDMN Oc1c(Cl)cccc1CN1Cc2ccccc2C(F)(F)C1 ZINC001231910170 1053911828 /nfs/dbraw/zinc/91/18/28/1053911828.db2.gz XZGYGRILENCSNB-UHFFFAOYSA-N 0 1 309.743 4.153 20 10 DICDMN COc1cccc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)c1 ZINC001231914444 1053915461 /nfs/dbraw/zinc/91/54/61/1053915461.db2.gz LLPTXDXQKWPLJC-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN C[N@@H+](CCc1cccc(Cl)c1)Cc1cccc(Cl)c1[O-] ZINC001231912532 1053916004 /nfs/dbraw/zinc/91/60/04/1053916004.db2.gz LPJLPBZFOXQQKY-UHFFFAOYSA-N 0 1 310.224 4.374 20 10 DICDMN CC(C)C[N@H+](Cc1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232258541 1054005295 /nfs/dbraw/zinc/00/52/95/1054005295.db2.gz AMJYHMSDCYXMRQ-UHFFFAOYSA-N 0 1 319.832 4.409 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232258541 1054005301 /nfs/dbraw/zinc/00/53/01/1054005301.db2.gz AMJYHMSDCYXMRQ-UHFFFAOYSA-N 0 1 319.832 4.409 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC001232266198 1054006911 /nfs/dbraw/zinc/00/69/11/1054006911.db2.gz KDAGRFPTNDKHHH-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC001232266198 1054006924 /nfs/dbraw/zinc/00/69/24/1054006924.db2.gz KDAGRFPTNDKHHH-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN CC[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232268409 1054009604 /nfs/dbraw/zinc/00/96/04/1054009604.db2.gz NIJOTWDNDPMDLL-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN CC[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232268409 1054009618 /nfs/dbraw/zinc/00/96/18/1054009618.db2.gz NIJOTWDNDPMDLL-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN COc1cc(O)c(CN2Cc3ccccc3C[C@H]2C)cc1Cl ZINC001232269377 1054011221 /nfs/dbraw/zinc/01/12/21/1054011221.db2.gz XUGGQWJWEAXXPF-GFCCVEGCSA-N 0 1 317.816 4.001 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232270089 1054011421 /nfs/dbraw/zinc/01/14/21/1054011421.db2.gz SODBVOQBXOEEBQ-WFASDCNBSA-N 0 1 309.837 4.209 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232270089 1054011434 /nfs/dbraw/zinc/01/14/34/1054011434.db2.gz SODBVOQBXOEEBQ-WFASDCNBSA-N 0 1 309.837 4.209 20 10 DICDMN COc1c(C)cccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000848560073 1054149895 /nfs/dbraw/zinc/14/98/95/1054149895.db2.gz JTEUFQGXJHRWSF-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000848565345 1054150970 /nfs/dbraw/zinc/15/09/70/1054150970.db2.gz NOXFPGLZDNBCHX-CABCVRRESA-N 0 1 306.409 4.222 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)Cc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000848564049 1054151152 /nfs/dbraw/zinc/15/11/52/1054151152.db2.gz AMLAVLMWJZPGAB-LRDDRELGSA-N 0 1 304.821 4.113 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccc(F)c1F ZINC001233076598 1054179986 /nfs/dbraw/zinc/17/99/86/1054179986.db2.gz BMJITBMCEXLYCV-CQSZACIVSA-N 0 1 303.352 4.050 20 10 DICDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233078123 1054183106 /nfs/dbraw/zinc/18/31/06/1054183106.db2.gz GVBMAQPCJRMQOM-INIZCTEOSA-N 0 1 303.352 4.180 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2cccc(F)c2)ccc(F)c1F ZINC001233077411 1054183589 /nfs/dbraw/zinc/18/35/89/1054183589.db2.gz MQMHDWVSBPJYMN-HNNXBMFYSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc(F)c1F ZINC001233080092 1054183898 /nfs/dbraw/zinc/18/38/98/1054183898.db2.gz POGDSVXFWBLAGK-HNNXBMFYSA-N 0 1 321.342 4.017 20 10 DICDMN CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233078846 1054184126 /nfs/dbraw/zinc/18/41/26/1054184126.db2.gz LQPJLTVYYXMNRT-UHFFFAOYSA-N 0 1 305.368 4.309 20 10 DICDMN CC[NH+](CC)Cc1c([O-])ccc2cc(Br)ccc21 ZINC001233193703 1054198285 /nfs/dbraw/zinc/19/82/85/1054198285.db2.gz DANVKSFEFQIJSX-UHFFFAOYSA-N 0 1 308.219 4.150 20 10 DICDMN C[N@@H+](Cc1ccc([S-])cc1)Cc1ccc(N2CCCC2)cc1 ZINC001233261360 1054218904 /nfs/dbraw/zinc/21/89/04/1054218904.db2.gz MDXXQONPDAOMLC-UHFFFAOYSA-N 0 1 312.482 4.208 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001233283924 1054222934 /nfs/dbraw/zinc/22/29/34/1054222934.db2.gz AYEZOLMEXQSVMI-SJORKVTESA-N 0 1 315.457 4.023 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001233283921 1054223472 /nfs/dbraw/zinc/22/34/72/1054223472.db2.gz AYEZOLMEXQSVMI-DLBZAZTESA-N 0 1 315.457 4.023 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001233334857 1054239444 /nfs/dbraw/zinc/23/94/44/1054239444.db2.gz XARFOKRPRMSCGC-UHFFFAOYSA-N 0 1 307.384 4.071 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H]2c2ccccc2)cccc1C(F)(F)F ZINC001233418783 1054265200 /nfs/dbraw/zinc/26/52/00/1054265200.db2.gz WKYKKYXWRQBBCS-OAHLLOKOSA-N 0 1 307.315 4.358 20 10 DICDMN C[N@@H+](CCc1cccs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418859 1054266600 /nfs/dbraw/zinc/26/66/00/1054266600.db2.gz ZAZAWOUXRMPXLA-UHFFFAOYSA-N 0 1 315.360 4.147 20 10 DICDMN [O-]c1c(C[N@H+]2CCc3ccsc3C2)cccc1C(F)(F)F ZINC001233418771 1054267192 /nfs/dbraw/zinc/26/71/92/1054267192.db2.gz VWGNKDREBBBEHU-UHFFFAOYSA-N 0 1 313.344 4.031 20 10 DICDMN C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452026 1054275733 /nfs/dbraw/zinc/27/57/33/1054275733.db2.gz IAIRQEMUZRUQJF-JTQLQIEISA-N 0 1 323.305 4.278 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233452026 1054275740 /nfs/dbraw/zinc/27/57/40/1054275740.db2.gz IAIRQEMUZRUQJF-JTQLQIEISA-N 0 1 323.305 4.278 20 10 DICDMN C[C@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452097 1054275812 /nfs/dbraw/zinc/27/58/12/1054275812.db2.gz KRCSRKULXIRQJU-AWEZNQCLSA-N 0 1 305.315 4.125 20 10 DICDMN C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452097 1054275819 /nfs/dbraw/zinc/27/58/19/1054275819.db2.gz KRCSRKULXIRQJU-AWEZNQCLSA-N 0 1 305.315 4.125 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCc2ccccc2CC1 ZINC001233454289 1054276302 /nfs/dbraw/zinc/27/63/02/1054276302.db2.gz OQRMBLGIVJTQOD-UHFFFAOYSA-N 0 1 321.342 4.012 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001233452428 1054277061 /nfs/dbraw/zinc/27/70/61/1054277061.db2.gz WFJFBFQSLPCLSB-AWEZNQCLSA-N 0 1 321.342 4.401 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001233452428 1054277074 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CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@H](C)CC ZINC001233726347 1054343740 /nfs/dbraw/zinc/34/37/40/1054343740.db2.gz CGOLPESUZWXHMX-LLVKDONJSA-N 0 1 305.340 4.301 20 10 DICDMN C[C@H]1CCCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233754772 1054350789 /nfs/dbraw/zinc/35/07/89/1054350789.db2.gz KLZSOPJMBAYCQO-NSHDSACASA-N 0 1 303.324 4.055 20 10 DICDMN C[C@H]1CCCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754772 1054350805 /nfs/dbraw/zinc/35/08/05/1054350805.db2.gz KLZSOPJMBAYCQO-NSHDSACASA-N 0 1 303.324 4.055 20 10 DICDMN C[C@H]1CCCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754772 1054350818 /nfs/dbraw/zinc/35/08/18/1054350818.db2.gz KLZSOPJMBAYCQO-NSHDSACASA-N 0 1 303.324 4.055 20 10 DICDMN CCC[N@H+](Cc1cccc(OC(F)(F)F)c1O)CC(C)C ZINC001233775744 1054356194 /nfs/dbraw/zinc/35/61/94/1054356194.db2.gz BNLCCRULYYDLCX-UHFFFAOYSA-N 0 1 305.340 4.159 20 10 DICDMN CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])CC(C)C ZINC001233775744 1054356205 /nfs/dbraw/zinc/35/62/05/1054356205.db2.gz 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1054547313 /nfs/dbraw/zinc/54/73/13/1054547313.db2.gz BSICOKADELNENJ-UHFFFAOYSA-N 0 1 321.367 4.031 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@@H+](C)CC3CC(F)(F)C3)c2c1 ZINC001234561815 1054547325 /nfs/dbraw/zinc/54/73/25/1054547325.db2.gz BSICOKADELNENJ-UHFFFAOYSA-N 0 1 321.367 4.031 20 10 DICDMN C[N@H+](Cc1ccccc1O)CC1CCC(C(F)(F)F)CC1 ZINC000185499286 1054554760 /nfs/dbraw/zinc/55/47/60/1054554760.db2.gz YTLXCMMYBSAYIJ-UHFFFAOYSA-N 0 1 301.352 4.193 20 10 DICDMN CC(C)Cn1ccnc1CN[C@@H](C)c1ccc2ccccc2c1O ZINC000185545965 1054573159 /nfs/dbraw/zinc/57/31/59/1054573159.db2.gz ZWWXTUFGFBBAFJ-HNNXBMFYSA-N 0 1 323.440 4.249 20 10 DICDMN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185564548 1054583040 /nfs/dbraw/zinc/58/30/40/1054583040.db2.gz SYJLOWRNFFTIKR-KGLIPLIRSA-N 0 1 301.430 4.400 20 10 DICDMN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185564566 1054583269 /nfs/dbraw/zinc/58/32/69/1054583269.db2.gz SYJLOWRNFFTIKR-UONOGXRCSA-N 0 1 301.430 4.400 20 10 DICDMN CCC(CC)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001450719921 1054658894 /nfs/dbraw/zinc/65/88/94/1054658894.db2.gz DUQUMBJLADALPS-SECBINFHSA-N 0 1 318.244 4.388 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1[O-] ZINC001473365798 1054658857 /nfs/dbraw/zinc/65/88/57/1054658857.db2.gz VCGZRHWIWVSQAW-LLVKDONJSA-N 0 1 309.837 4.116 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cc(Br)ccc1[O-] ZINC001349314797 1054735907 /nfs/dbraw/zinc/73/59/07/1054735907.db2.gz ZQRUDIDJSSPAAV-ZMLRMANQSA-N 0 1 316.214 4.086 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001236663020 1055217212 /nfs/dbraw/zinc/21/72/12/1055217212.db2.gz JRHFISXMMNVUMD-CHWSQXEVSA-N 0 1 324.262 4.085 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)CC2CCCC2)c1 ZINC001236668457 1055220815 /nfs/dbraw/zinc/22/08/15/1055220815.db2.gz DVLGJQWIRPPTTD-UHFFFAOYSA-N 0 1 312.251 4.085 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC001236666650 1055221355 /nfs/dbraw/zinc/22/13/55/1055221355.db2.gz TXGCNCOIYXBIEP-UHFFFAOYSA-N 0 1 324.262 4.229 20 10 DICDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001236795571 1055260687 /nfs/dbraw/zinc/26/06/87/1055260687.db2.gz GTWDQIDSWOOTNM-NSHDSACASA-N 0 1 323.223 4.084 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccccc2)c(Cl)c1 ZINC001236797711 1055262076 /nfs/dbraw/zinc/26/20/76/1055262076.db2.gz AGZJQTOQNQMKGG-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccccc2)c(Cl)c1 ZINC001236797711 1055262084 /nfs/dbraw/zinc/26/20/84/1055262084.db2.gz AGZJQTOQNQMKGG-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[NH+]2CCC3(CCCC3)CC2)c(Cl)c1 ZINC001236796750 1055262483 /nfs/dbraw/zinc/26/24/83/1055262483.db2.gz YTGMNYRRVLORED-UHFFFAOYSA-N 0 1 309.837 4.210 20 10 DICDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001236795943 1055262683 /nfs/dbraw/zinc/26/26/83/1055262683.db2.gz KWTQGKWVGGDDLW-MRVPVSSYSA-N 0 1 314.134 4.083 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC001236797713 1055266721 /nfs/dbraw/zinc/26/67/21/1055266721.db2.gz AGZJQTOQNQMKGG-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC001236797713 1055266731 /nfs/dbraw/zinc/26/67/31/1055266731.db2.gz AGZJQTOQNQMKGG-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[N@H+](Cc2ccccc2)C(C)C)c(Cl)c1 ZINC001236803895 1055268649 /nfs/dbraw/zinc/26/86/49/1055268649.db2.gz QHRSWTSCVYQCHT-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN COc1cc([O-])c(C[N@@H+](Cc2ccccc2)C(C)C)c(Cl)c1 ZINC001236803895 1055268665 /nfs/dbraw/zinc/26/86/65/1055268665.db2.gz QHRSWTSCVYQCHT-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([O-])c1Cl ZINC001236808372 1055269524 /nfs/dbraw/zinc/26/95/24/1055269524.db2.gz XOQZQUGTDGWVES-CQSZACIVSA-N 0 1 303.789 4.001 20 10 DICDMN COc1cc(C)c(C[N@H+]2CCC[C@H]2C2CCCCC2)c(O)c1 ZINC001236817177 1055271237 /nfs/dbraw/zinc/27/12/37/1055271237.db2.gz CLVCQZLRYBBQTL-SFHVURJKSA-N 0 1 303.446 4.254 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1cc2ccccc2cc1O ZINC001236834037 1055283245 /nfs/dbraw/zinc/28/32/45/1055283245.db2.gz SFHDJVMNDPWOIR-UHFFFAOYSA-N 0 1 320.436 4.395 20 10 DICDMN CCOc1ccc(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)c([O-])c1 ZINC001237041931 1055347934 /nfs/dbraw/zinc/34/79/34/1055347934.db2.gz QQDKNTOBESVYPW-UHFFFAOYSA-N 0 1 315.457 4.192 20 10 DICDMN CCOc1ccc(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)c([O-])c1 ZINC001237041931 1055347950 /nfs/dbraw/zinc/34/79/50/1055347950.db2.gz QQDKNTOBESVYPW-UHFFFAOYSA-N 0 1 315.457 4.192 20 10 DICDMN C[N@@H+](CCc1cccs1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237080894 1055363956 /nfs/dbraw/zinc/36/39/56/1055363956.db2.gz HEGGLKWINZWCMG-UHFFFAOYSA-N 0 1 316.253 4.435 20 10 DICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001237080490 1055364906 /nfs/dbraw/zinc/36/49/06/1055364906.db2.gz DJQBGZHWFIBEJB-ZETCQYMHSA-N 0 1 314.134 4.083 20 10 DICDMN C[N@@H+](Cc1cccs1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237082100 1055365436 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ZINC001237212203 1055403843 /nfs/dbraw/zinc/40/38/43/1055403843.db2.gz JWDJOTQYXRWXLO-UHFFFAOYSA-N 0 1 310.457 4.200 20 10 DICDMN Cc1cccc(CC[N@H+](C)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC001237621874 1055486360 /nfs/dbraw/zinc/48/63/60/1055486360.db2.gz IANGMBKCMCNZAF-UHFFFAOYSA-N 0 1 307.796 4.168 20 10 DICDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237623131 1055489012 /nfs/dbraw/zinc/48/90/12/1055489012.db2.gz IRCXMPJPPIEOFD-GORDUTHDSA-N 0 1 320.795 4.115 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccc(F)c1F ZINC001620867621 1055494467 /nfs/dbraw/zinc/49/44/67/1055494467.db2.gz UCGONEWXUVNPOH-GFCCVEGCSA-N 0 1 303.352 4.141 20 10 DICDMN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1O ZINC001237681785 1055503089 /nfs/dbraw/zinc/50/30/89/1055503089.db2.gz RXGATDFOOCTCCZ-OAHLLOKOSA-N 0 1 301.817 4.344 20 10 DICDMN COc1ccc(C[C@H](C)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC001620886467 1055510537 /nfs/dbraw/zinc/51/05/37/1055510537.db2.gz KNWZTTRJODAHRQ-ZDUSSCGKSA-N 0 1 319.832 4.023 20 10 DICDMN COc1ccc(CN[C@@H](C)c2nc3ccccc3s2)cc1C ZINC000765623884 1055522253 /nfs/dbraw/zinc/52/22/53/1055522253.db2.gz POEHWWBODZQTRK-ZDUSSCGKSA-N 0 1 312.438 4.464 20 10 DICDMN Cc1c2ccccc2n(C)c1CNc1cc2c(cn1)CCCC2 ZINC001620950774 1055567397 /nfs/dbraw/zinc/56/73/97/1055567397.db2.gz MPFHHPHFSHHCFN-UHFFFAOYSA-N 0 1 305.425 4.373 20 10 DICDMN CN1CCCc2cc(CNCc3ccc(F)cc3Cl)ccc21 ZINC001620752084 1055925864 /nfs/dbraw/zinc/92/58/64/1055925864.db2.gz UOMAOOPYFGQNFD-UHFFFAOYSA-N 0 1 318.823 4.151 20 10 DICDMN Cc1cc(N(C)C)ccc1CNCc1ccc(F)cc1Cl ZINC001620787756 1055962897 /nfs/dbraw/zinc/96/28/97/1055962897.db2.gz JTILRZHGQITZCW-UHFFFAOYSA-N 0 1 306.812 4.143 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(c2ccccc2F)CCC1 ZINC001620994287 1055963581 /nfs/dbraw/zinc/96/35/81/1055963581.db2.gz IGVLTXGNEVEODP-UHFFFAOYSA-N 0 1 319.807 4.396 20 10 DICDMN CSc1cccc(F)c1CNCc1ccc(N(C)C)cc1C ZINC001621327118 1056034225 /nfs/dbraw/zinc/03/42/25/1056034225.db2.gz INGOZWJWTOSURU-UHFFFAOYSA-N 0 1 318.461 4.212 20 10 DICDMN CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1cc(F)ccc1O)CCC2 ZINC000765817525 1056177565 /nfs/dbraw/zinc/17/75/65/1056177565.db2.gz LWJKUBQABYKNFI-MLGOLLRUSA-N 0 1 317.408 4.037 20 10 DICDMN Cc1cc(CN(C)[C@@H](C)c2ccccc2F)ccc1N(C)C ZINC001615187846 1056471995 /nfs/dbraw/zinc/47/19/95/1056471995.db2.gz NGQDEDCNSJCHEB-HNNXBMFYSA-N 0 1 300.421 4.393 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCC2CCCCC2)c1[O-] ZINC001615365762 1056498514 /nfs/dbraw/zinc/49/85/14/1056498514.db2.gz APJYXWQSDWMCAD-UHFFFAOYSA-N 0 1 307.409 4.136 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1[O-] ZINC001615543617 1056532363 /nfs/dbraw/zinc/53/23/63/1056532363.db2.gz MMKSHOPGQHJJHS-NWDGAFQWSA-N 0 1 309.837 4.259 20 10 DICDMN CCCOc1cc(C)ccc1CNCc1ccc(OC)c(C)c1 ZINC001620833199 1056738191 /nfs/dbraw/zinc/73/81/91/1056738191.db2.gz ILBIZBFJZZVNHY-UHFFFAOYSA-N 0 1 313.441 4.391 20 10 DICDMN CCCCN(Cc1ccccc1O)[C@H](CC)C(=O)OC(C)(C)C ZINC001617538929 1056846556 /nfs/dbraw/zinc/84/65/56/1056846556.db2.gz PTPHFYCQKCVTRT-MRXNPFEDSA-N 0 1 321.461 4.115 20 10 DICDMN CC(C)N(Cc1cnc(Cl)s1)Cc1ccc(N(C)C)cc1 ZINC000766024053 1057123713 /nfs/dbraw/zinc/12/37/13/1057123713.db2.gz YYSQXUUDKXYWEI-UHFFFAOYSA-N 0 1 323.893 4.273 20 10 DICDMN CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000708471944 1057501054 /nfs/dbraw/zinc/50/10/54/1057501054.db2.gz GJSLYDQSTNISFD-UHFFFAOYSA-N 0 1 316.150 4.473 20 10 DICDMN CC1CCN(c2ccc(CNCc3ccc(Cl)o3)cc2)CC1 ZINC000731041534 1057733498 /nfs/dbraw/zinc/73/34/98/1057733498.db2.gz FRDJHCFRUWUUGB-UHFFFAOYSA-N 0 1 318.848 4.459 20 10 DICDMN C[C@@H](c1ccccc1Br)N(C)Cc1ccccc1O ZINC000732203117 1057770458 /nfs/dbraw/zinc/77/04/58/1057770458.db2.gz PPLYALAKPMFPAI-LBPRGKRZSA-N 0 1 320.230 4.348 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000732233192 1057771567 /nfs/dbraw/zinc/77/15/67/1057771567.db2.gz XLYMVTASYOGUPM-IAGOWNOFSA-N 0 1 301.817 4.472 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCSCc1ccccc1 ZINC000733323211 1057811879 /nfs/dbraw/zinc/81/18/79/1057811879.db2.gz PPIUWQLNCMPMGU-UHFFFAOYSA-N 0 1 307.846 4.069 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000733322667 1057812237 /nfs/dbraw/zinc/81/22/37/1057812237.db2.gz RPLGIYJZDXIZNF-AWEZNQCLSA-N 0 1 301.817 4.255 20 10 DICDMN CC(C)(C)c1csc(CC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000733327764 1057813638 /nfs/dbraw/zinc/81/36/38/1057813638.db2.gz AUWZAFXUKMTVHS-UHFFFAOYSA-N 0 1 324.877 4.132 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1ccc(Cl)cc1 ZINC000733328574 1057813651 /nfs/dbraw/zinc/81/36/51/1057813651.db2.gz VMKUUVAVNIUDJI-UHFFFAOYSA-N 0 1 310.224 4.421 20 10 DICDMN CC[C@@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001556883924 1058663622 /nfs/dbraw/zinc/66/36/22/1058663622.db2.gz IGUWQPYEPOHMIM-BXKDBHETSA-N 0 1 316.228 4.142 20 10 DICDMN CN(Cc1ccccn1)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248879801 1060030203 /nfs/dbraw/zinc/03/02/03/1060030203.db2.gz DFUMDXVQGPOZEF-UHFFFAOYSA-N 0 1 318.848 4.370 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1Cl ZINC001248883971 1060035462 /nfs/dbraw/zinc/03/54/62/1060035462.db2.gz UVRJCVTYDUOVQD-GOSISDBHSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CCC[C@@]3(CCO3)C2)cc1Cl ZINC001248883971 1060035481 /nfs/dbraw/zinc/03/54/81/1060035481.db2.gz UVRJCVTYDUOVQD-GOSISDBHSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CCC[C@@]23CCOC3)cc1Cl ZINC001248884750 1060037607 /nfs/dbraw/zinc/03/76/07/1060037607.db2.gz AYYWNSIOMHUWIE-SFHVURJKSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CCC[C@@]23CCOC3)cc1Cl ZINC001248884750 1060037626 /nfs/dbraw/zinc/03/76/26/1060037626.db2.gz AYYWNSIOMHUWIE-SFHVURJKSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CCC[C@]3(CCO3)C2)cc1Cl ZINC001248883972 1060037877 /nfs/dbraw/zinc/03/78/77/1060037877.db2.gz UVRJCVTYDUOVQD-SFHVURJKSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CCC[C@]3(CCO3)C2)cc1Cl ZINC001248883972 1060037898 /nfs/dbraw/zinc/03/78/98/1060037898.db2.gz UVRJCVTYDUOVQD-SFHVURJKSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001248884114 1060038649 /nfs/dbraw/zinc/03/86/49/1060038649.db2.gz XHWKPZFYXXEXHW-ITDIGPHOSA-N 0 1 311.828 4.275 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001248884114 1060038667 /nfs/dbraw/zinc/03/86/67/1060038667.db2.gz XHWKPZFYXXEXHW-ITDIGPHOSA-N 0 1 311.828 4.275 20 10 DICDMN C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c([O-])cccc1Br ZINC001560322587 1060109156 /nfs/dbraw/zinc/10/91/56/1060109156.db2.gz LJYZYGAAXZOFOR-GHMZBOCLSA-N 0 1 312.251 4.069 20 10 DICDMN Cc1ccc(C[NH+](C)C)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001560384268 1060169211 /nfs/dbraw/zinc/16/92/11/1060169211.db2.gz OVZQOFFYXXNAJF-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249259070 1060204011 /nfs/dbraw/zinc/20/40/11/1060204011.db2.gz QNFCOVQXNPKYIH-INIZCTEOSA-N 0 1 301.430 4.197 20 10 DICDMN CCO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)c1ccccc1 ZINC001560456857 1060248566 /nfs/dbraw/zinc/24/85/66/1060248566.db2.gz JRXKQLPNPDVUKM-SFHVURJKSA-N 0 1 319.832 4.221 20 10 DICDMN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)CC2 ZINC001560521344 1060319340 /nfs/dbraw/zinc/31/93/40/1060319340.db2.gz BSCJYXCFRSGDOA-KRWDZBQOSA-N 0 1 301.817 4.440 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)c(Cl)c1 ZINC001560604743 1060417544 /nfs/dbraw/zinc/41/75/44/1060417544.db2.gz BHLQRVGFBZNNOK-CYBMUJFWSA-N 0 1 311.853 4.039 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c(Cl)c1 ZINC001560614782 1060427602 /nfs/dbraw/zinc/42/76/02/1060427602.db2.gz WZVXWMOHULMCCG-CQSZACIVSA-N 0 1 322.235 4.264 20 10 DICDMN CC[N@@H+](Cc1ccccc1F)Cc1cc(Cl)c(F)cc1[O-] ZINC001560639376 1060456857 /nfs/dbraw/zinc/45/68/57/1060456857.db2.gz VXYYSZZIPFXQOM-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC(C)C[N@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001560652322 1060478271 /nfs/dbraw/zinc/47/82/71/1060478271.db2.gz VVFJOCKIBMMJJQ-UHFFFAOYSA-N 0 1 323.358 4.468 20 10 DICDMN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676646 1060518227 /nfs/dbraw/zinc/51/82/27/1060518227.db2.gz IGSGAMGABYAALR-CHWSQXEVSA-N 0 1 313.894 4.460 20 10 DICDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676646 1060518244 /nfs/dbraw/zinc/51/82/44/1060518244.db2.gz IGSGAMGABYAALR-CHWSQXEVSA-N 0 1 313.894 4.460 20 10 DICDMN C[C@@H]1c2ccccc2OCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001560680501 1060520925 /nfs/dbraw/zinc/52/09/25/1060520925.db2.gz CIXDUNBNMNEVBI-DKRLNXSXSA-N 0 1 322.452 4.221 20 10 DICDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C)c1cccc(O)c1 ZINC001560692836 1060540345 /nfs/dbraw/zinc/54/03/45/1060540345.db2.gz PMLDWUJLZIBXAE-LBPRGKRZSA-N 0 1 305.805 4.334 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C)c1cccc(O)c1 ZINC001560692836 1060540362 /nfs/dbraw/zinc/54/03/62/1060540362.db2.gz PMLDWUJLZIBXAE-LBPRGKRZSA-N 0 1 305.805 4.334 20 10 DICDMN Cc1ccc(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)cn1 ZINC001560704829 1060560743 /nfs/dbraw/zinc/56/07/43/1060560743.db2.gz UPPQJHVXTTZRFQ-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN CC(C)[C@@H](C)[N@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC001560724718 1060587794 /nfs/dbraw/zinc/58/77/94/1060587794.db2.gz SMEOOGDTTVIXEJ-LLVKDONJSA-N 0 1 312.251 4.164 20 10 DICDMN CC(C)[C@@H](C)[N@@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC001560724718 1060587812 /nfs/dbraw/zinc/58/78/12/1060587812.db2.gz SMEOOGDTTVIXEJ-LLVKDONJSA-N 0 1 312.251 4.164 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC001560731242 1060597260 /nfs/dbraw/zinc/59/72/60/1060597260.db2.gz SRGFWJACBLHACW-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN Cc1cccc([C@@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC001560751279 1060618579 /nfs/dbraw/zinc/61/85/79/1060618579.db2.gz KUZZGFQINQZENI-CQSZACIVSA-N 0 1 319.807 4.483 20 10 DICDMN Cc1cc(F)cc2c1CN(C/C=C\c1ccc(N(C)C)cc1)CC2 ZINC001560783782 1060645167 /nfs/dbraw/zinc/64/51/67/1060645167.db2.gz LUVBXKGJNPBCGK-PLNGDYQASA-N 0 1 324.443 4.272 20 10 DICDMN Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001560786535 1060646317 /nfs/dbraw/zinc/64/63/17/1060646317.db2.gz XAYRFPBAGIDSGL-SFHVURJKSA-N 0 1 319.807 4.425 20 10 DICDMN Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001560786535 1060646331 /nfs/dbraw/zinc/64/63/31/1060646331.db2.gz XAYRFPBAGIDSGL-SFHVURJKSA-N 0 1 319.807 4.425 20 10 DICDMN Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560786355 1060647320 /nfs/dbraw/zinc/64/73/20/1060647320.db2.gz VGHFEPOILLDXMZ-GOSISDBHSA-N 0 1 321.342 4.050 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC=C(c3ccco3)C2)c(Cl)c1 ZINC001560826581 1060683751 /nfs/dbraw/zinc/68/37/51/1060683751.db2.gz RBSRGKPKWQRILR-UHFFFAOYSA-N 0 1 303.789 4.236 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC=C(c3ccco3)C2)c(Cl)c1 ZINC001560826581 1060683763 /nfs/dbraw/zinc/68/37/63/1060683763.db2.gz RBSRGKPKWQRILR-UHFFFAOYSA-N 0 1 303.789 4.236 20 10 DICDMN [O-]c1c(C[NH2+]Cc2cccc3[nH]ccc32)ccc2ccccc21 ZINC001560981453 1060844303 /nfs/dbraw/zinc/84/43/03/1060844303.db2.gz PICDTRLWJZJCJT-UHFFFAOYSA-N 0 1 302.377 4.317 20 10 DICDMN COc1cc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2cc1C ZINC001250489694 1060844796 /nfs/dbraw/zinc/84/47/96/1060844796.db2.gz CMNRBLZRKIRIQI-UHFFFAOYSA-N 0 1 307.397 4.147 20 10 DICDMN Oc1cc(F)c(Cl)cc1CN1CC[C@@H]1c1ccc(F)cc1 ZINC001561034883 1060889267 /nfs/dbraw/zinc/88/92/67/1060889267.db2.gz GGOMLPFNUWLDMD-OAHLLOKOSA-N 0 1 309.743 4.271 20 10 DICDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)Cc2ccccc21 ZINC001462560184 1061261005 /nfs/dbraw/zinc/26/10/05/1061261005.db2.gz ATZHXYMHYJECTB-NSHDSACASA-N 0 1 305.780 4.304 20 10 DICDMN CCc1ccc2c(c1)C[N@@H+](Cc1c([O-])cc(C)cc1Cl)CC2 ZINC001462689456 1061339740 /nfs/dbraw/zinc/33/97/40/1061339740.db2.gz YXCIJMAUPWNBRY-UHFFFAOYSA-N 0 1 315.844 4.475 20 10 DICDMN CCc1ccc2c(c1)C[N@H+](Cc1c([O-])cc(C)cc1Cl)CC2 ZINC001462689456 1061339761 /nfs/dbraw/zinc/33/97/61/1061339761.db2.gz YXCIJMAUPWNBRY-UHFFFAOYSA-N 0 1 315.844 4.475 20 10 DICDMN C[C@H](NCc1coc(-c2ccccc2F)n1)c1ccccc1O ZINC001473723930 1061370854 /nfs/dbraw/zinc/37/08/54/1061370854.db2.gz MXZQPXBFHYGUFS-LBPRGKRZSA-N 0 1 312.344 4.037 20 10 DICDMN c1ccc(OCC2CC2)c(CNCc2ccc3c(c2)CCCO3)c1 ZINC001474016888 1061556335 /nfs/dbraw/zinc/55/63/35/1061556335.db2.gz ACGGJNCYUCGAGR-UHFFFAOYSA-N 0 1 323.436 4.090 20 10 DICDMN Oc1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(Cl)c1O ZINC001252786787 1061719655 /nfs/dbraw/zinc/71/96/55/1061719655.db2.gz HIZKKRQVMOSKBE-UHFFFAOYSA-N 0 1 323.135 4.122 20 10 DICDMN Cc1ccnc(NCc2c(O)ccc(Cl)c2F)c1C1CC1 ZINC001474202203 1061754707 /nfs/dbraw/zinc/75/47/07/1061754707.db2.gz RLODWOLEVZQNHI-UHFFFAOYSA-N 0 1 306.768 4.378 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])n1 ZINC001474327461 1061911402 /nfs/dbraw/zinc/91/14/02/1061911402.db2.gz DQSSESGKHGENMU-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])n1 ZINC001474327461 1061911424 /nfs/dbraw/zinc/91/14/24/1061911424.db2.gz DQSSESGKHGENMU-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474350251 1061956960 /nfs/dbraw/zinc/95/69/60/1061956960.db2.gz IGPPTNLHCSPCGE-OAHLLOKOSA-N 0 1 305.368 4.124 20 10 DICDMN CC(C)(C)C1=CC[N@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001474354860 1061966860 /nfs/dbraw/zinc/96/68/60/1061966860.db2.gz FLVYFZYXBCPSCF-UHFFFAOYSA-N 0 1 324.262 4.333 20 10 DICDMN CC(C)(C)C1=CC[N@@H+](Cc2ccc(Br)cc2[O-])CC1 ZINC001474354860 1061966887 /nfs/dbraw/zinc/96/68/87/1061966887.db2.gz FLVYFZYXBCPSCF-UHFFFAOYSA-N 0 1 324.262 4.333 20 10 DICDMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474360472 1061984832 /nfs/dbraw/zinc/98/48/32/1061984832.db2.gz QDZGVBULGRWDTJ-RYUDHWBXSA-N 0 1 317.857 4.291 20 10 DICDMN CC(C)[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC001474361110 1061985232 /nfs/dbraw/zinc/98/52/32/1061985232.db2.gz XVSHUWNHKLPFKE-QGZVFWFLSA-N 0 1 301.455 4.119 20 10 DICDMN CC(C)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC001474361110 1061985247 /nfs/dbraw/zinc/98/52/47/1061985247.db2.gz XVSHUWNHKLPFKE-QGZVFWFLSA-N 0 1 301.455 4.119 20 10 DICDMN COc1ccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1C ZINC001474384136 1062028339 /nfs/dbraw/zinc/02/83/39/1062028339.db2.gz OJHDIDCWIQIONL-UHFFFAOYSA-N 0 1 323.795 4.134 20 10 DICDMN C[C@H](COc1ccccc1F)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC001254721283 1062239149 /nfs/dbraw/zinc/23/91/49/1062239149.db2.gz ONGXLOJOEHNHBG-NEPJUHHUSA-N 0 1 323.795 4.303 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001474616368 1062335446 /nfs/dbraw/zinc/33/54/46/1062335446.db2.gz MYCKQKYNZQDRHP-UHFFFAOYSA-N 0 1 323.367 4.350 20 10 DICDMN Cc1ccc2c(c1)C[N@H+](Cc1c([O-])ccc(Cl)c1F)CC2 ZINC001474618090 1062338017 /nfs/dbraw/zinc/33/80/17/1062338017.db2.gz MSALPAILWKPVSG-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC001474651169 1062379554 /nfs/dbraw/zinc/37/95/54/1062379554.db2.gz GJQLDRWGLTVVEL-UHFFFAOYSA-N 0 1 307.743 4.258 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001474664313 1062395225 /nfs/dbraw/zinc/39/52/25/1062395225.db2.gz VGVIMNOFQWXQTQ-OAHLLOKOSA-N 0 1 308.208 4.476 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c1[O-] ZINC001459790409 1062402162 /nfs/dbraw/zinc/40/21/62/1062402162.db2.gz DNENQBFYKHLYKV-IRXDYDNUSA-N 0 1 321.436 4.428 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@H]1c2ccccc2CC[C@@H]1F ZINC001474680211 1062411847 /nfs/dbraw/zinc/41/18/47/1062411847.db2.gz VGUXPAVQYLEZKW-PMACEKPBSA-N 0 1 312.432 4.176 20 10 DICDMN Cc1cc(C)cc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001461160241 1063300114 /nfs/dbraw/zinc/30/01/14/1063300114.db2.gz JTKMFJNVCYYHKY-CQSZACIVSA-N 0 1 318.411 4.498 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC3(CCCCC3)C2)c1[O-] ZINC001473152144 1063457229 /nfs/dbraw/zinc/45/72/29/1063457229.db2.gz NKEDKBHAZUKBLJ-UHFFFAOYSA-N 0 1 319.420 4.280 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC3(CCCCC3)C2)c1[O-] ZINC001473152144 1063457236 /nfs/dbraw/zinc/45/72/36/1063457236.db2.gz NKEDKBHAZUKBLJ-UHFFFAOYSA-N 0 1 319.420 4.280 20 10 DICDMN CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001258083698 1063504897 /nfs/dbraw/zinc/50/48/97/1063504897.db2.gz NHIOADUMFMVZFU-LBPRGKRZSA-N 0 1 312.251 4.379 20 10 DICDMN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC001461643902 1063629614 /nfs/dbraw/zinc/62/96/14/1063629614.db2.gz HSTZWCBDGBQJAJ-CVEARBPZSA-N 0 1 323.864 4.262 20 10 DICDMN CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC001461643906 1063630438 /nfs/dbraw/zinc/63/04/38/1063630438.db2.gz HSTZWCBDGBQJAJ-HZPDHXFCSA-N 0 1 323.864 4.262 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001461830793 1063740509 /nfs/dbraw/zinc/74/05/09/1063740509.db2.gz PEUDBZLWOWAVEA-QWHCGFSZSA-N 0 1 324.262 4.071 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001461858239 1063754026 /nfs/dbraw/zinc/75/40/26/1063754026.db2.gz GJUIGXNGZHJOAJ-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN CCSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001461883177 1063771763 /nfs/dbraw/zinc/77/17/63/1063771763.db2.gz PPHXVRJJBKMPRQ-GFCCVEGCSA-N 0 1 301.883 4.318 20 10 DICDMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001461883177 1063771767 /nfs/dbraw/zinc/77/17/67/1063771767.db2.gz PPHXVRJJBKMPRQ-GFCCVEGCSA-N 0 1 301.883 4.318 20 10 DICDMN COc1cc(Cl)cc(C[N@H+](C)CCC2CCCCC2)c1[O-] ZINC001461918054 1063799495 /nfs/dbraw/zinc/79/94/95/1063799495.db2.gz YBFRPHBDXXLCKK-UHFFFAOYSA-N 0 1 311.853 4.456 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](C)CCC2CCCCC2)c1[O-] ZINC001461918054 1063799505 /nfs/dbraw/zinc/79/95/05/1063799505.db2.gz YBFRPHBDXXLCKK-UHFFFAOYSA-N 0 1 311.853 4.456 20 10 DICDMN CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001462017573 1063881670 /nfs/dbraw/zinc/88/16/70/1063881670.db2.gz AQKSTOWNUOWQSE-ZDUSSCGKSA-N 0 1 305.368 4.471 20 10 DICDMN C[C@H](c1ccccc1)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC001462032484 1063892401 /nfs/dbraw/zinc/89/24/01/1063892401.db2.gz RVQOHUWMEXYHBA-CYBMUJFWSA-N 0 1 304.384 4.224 20 10 DICDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC(F)(F)C1 ZINC000383184604 1064000822 /nfs/dbraw/zinc/00/08/22/1064000822.db2.gz NRDIFSVHCAHKAE-UHFFFAOYSA-N 0 1 310.171 4.176 20 10 DICDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)c1ccc(OC)cc1 ZINC001307502422 1065446072 /nfs/dbraw/zinc/44/60/72/1065446072.db2.gz WTJLNSPLMVHGAH-MRXNPFEDSA-N 0 1 313.441 4.417 20 10 DICDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)c1ccc(OC)cc1 ZINC001307502422 1065446079 /nfs/dbraw/zinc/44/60/79/1065446079.db2.gz WTJLNSPLMVHGAH-MRXNPFEDSA-N 0 1 313.441 4.417 20 10 DICDMN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(F)cc1 ZINC001308540351 1066057545 /nfs/dbraw/zinc/05/75/45/1066057545.db2.gz FGRSRVLQMXRBMO-LLVKDONJSA-N 0 1 308.347 4.021 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001308558248 1066068099 /nfs/dbraw/zinc/06/80/99/1066068099.db2.gz MDOAWBBLJCOKSK-UHFFFAOYSA-N 0 1 318.848 4.052 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001308558248 1066068108 /nfs/dbraw/zinc/06/81/08/1066068108.db2.gz MDOAWBBLJCOKSK-UHFFFAOYSA-N 0 1 318.848 4.052 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCCc3sccc3C2)c(Cl)c1 ZINC001308562238 1066071270 /nfs/dbraw/zinc/07/12/70/1066071270.db2.gz XNRYEVCCPNBKTC-UHFFFAOYSA-N 0 1 307.846 4.364 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCCc3sccc3C2)c(Cl)c1 ZINC001308562238 1066071279 /nfs/dbraw/zinc/07/12/79/1066071279.db2.gz XNRYEVCCPNBKTC-UHFFFAOYSA-N 0 1 307.846 4.364 20 10 DICDMN [O-]c1c(C[N@@H+](CCc2cccc(F)c2)C2CC2)ccc(F)c1F ZINC001308572992 1066085246 /nfs/dbraw/zinc/08/52/46/1066085246.db2.gz CHUASUSEULAPHS-UHFFFAOYSA-N 0 1 321.342 4.017 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001308574488 1066088373 /nfs/dbraw/zinc/08/83/73/1066088373.db2.gz VXWAIHQZIJQQKQ-PXAZEXFGSA-N 0 1 303.352 4.254 20 10 DICDMN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001308574497 1066088632 /nfs/dbraw/zinc/08/86/32/1066088632.db2.gz VXWAIHQZIJQQKQ-YVEFUNNKSA-N 0 1 303.352 4.254 20 10 DICDMN CCSCC[C@H](C)[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001308578248 1066093300 /nfs/dbraw/zinc/09/33/00/1066093300.db2.gz NYNNUKVRYCQASY-LBPRGKRZSA-N 0 1 301.883 4.318 20 10 DICDMN CCSCC[C@H](C)[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001308578248 1066093313 /nfs/dbraw/zinc/09/33/13/1066093313.db2.gz NYNNUKVRYCQASY-LBPRGKRZSA-N 0 1 301.883 4.318 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC001308594816 1066106534 /nfs/dbraw/zinc/10/65/34/1066106534.db2.gz RPOUIBFOZCCBNG-HOCLYGCPSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC001308594816 1066106547 /nfs/dbraw/zinc/10/65/47/1066106547.db2.gz RPOUIBFOZCCBNG-HOCLYGCPSA-N 0 1 311.878 4.214 20 10 DICDMN CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC001308601227 1066110358 /nfs/dbraw/zinc/11/03/58/1066110358.db2.gz RGQWGGQTOJYFGA-AWEZNQCLSA-N 0 1 312.251 4.165 20 10 DICDMN CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC001308601227 1066110364 /nfs/dbraw/zinc/11/03/64/1066110364.db2.gz RGQWGGQTOJYFGA-AWEZNQCLSA-N 0 1 312.251 4.165 20 10 DICDMN Cc1cccc(OCC[N@@H+](C)Cc2c([O-])cc(C)cc2Cl)c1 ZINC001308612276 1066117152 /nfs/dbraw/zinc/11/71/52/1066117152.db2.gz NSCPPXBVJTUACI-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN Cc1cccc(OCC[N@H+](C)Cc2c([O-])cc(C)cc2Cl)c1 ZINC001308612276 1066117156 /nfs/dbraw/zinc/11/71/56/1066117156.db2.gz NSCPPXBVJTUACI-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)[C@H]2CCCC[C@@H]12 ZINC001308637667 1066131661 /nfs/dbraw/zinc/13/16/61/1066131661.db2.gz PLYFWTLMQUYJJC-XUJVJEKNSA-N 0 1 324.262 4.165 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)[C@H]2CCCC[C@@H]12 ZINC001308637667 1066131664 /nfs/dbraw/zinc/13/16/64/1066131664.db2.gz PLYFWTLMQUYJJC-XUJVJEKNSA-N 0 1 324.262 4.165 20 10 DICDMN CCC1(CC)C[N@H+](Cc2cc(Cl)c(C)cc2[O-])CCS1 ZINC001308670116 1066147238 /nfs/dbraw/zinc/14/72/38/1066147238.db2.gz XHGAXAREDUXPTK-UHFFFAOYSA-N 0 1 313.894 4.462 20 10 DICDMN CCC1(CC)C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CCS1 ZINC001308670116 1066147241 /nfs/dbraw/zinc/14/72/41/1066147241.db2.gz XHGAXAREDUXPTK-UHFFFAOYSA-N 0 1 313.894 4.462 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])c1 ZINC001308658832 1066140483 /nfs/dbraw/zinc/14/04/83/1066140483.db2.gz SVMIUFXWHJFJJK-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001308666439 1066145491 /nfs/dbraw/zinc/14/54/91/1066145491.db2.gz PMGWMBGPLOZRNI-MRXNPFEDSA-N 0 1 303.352 4.007 20 10 DICDMN C[C@H]1COc2ccccc2CN1C/C=C/c1ccc(N(C)C)cc1 ZINC001308686057 1066155150 /nfs/dbraw/zinc/15/51/50/1066155150.db2.gz XWOKAMZAFZKAEI-LXXRFIIISA-N 0 1 322.452 4.049 20 10 DICDMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001308686931 1066181334 /nfs/dbraw/zinc/18/13/34/1066181334.db2.gz RFPPRYWNQPOBLS-JLHYYAGUSA-N 0 1 303.352 4.206 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1Cl ZINC001308710191 1066193007 /nfs/dbraw/zinc/19/30/07/1066193007.db2.gz DAXVVWSOMPRWKT-DOTOQJQBSA-N 0 1 311.853 4.037 20 10 DICDMN CCC[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H](O)c1ccccc1 ZINC001308736039 1066211007 /nfs/dbraw/zinc/21/10/07/1066211007.db2.gz NBLFNTPPPJUWSQ-WMZOPIPTSA-N 0 1 319.832 4.038 20 10 DICDMN Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])c1C ZINC001308786769 1066262840 /nfs/dbraw/zinc/26/28/40/1066262840.db2.gz OAKYQCNOYAQKPM-UHFFFAOYSA-N 0 1 307.796 4.434 20 10 DICDMN [O-]c1c(C[NH+]2CC(Cc3ccc(F)cc3)C2)ccc2ccccc21 ZINC001308807608 1066285154 /nfs/dbraw/zinc/28/51/54/1066285154.db2.gz RSEQHNYGJIOLBN-UHFFFAOYSA-N 0 1 321.395 4.359 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC001308845743 1066324324 /nfs/dbraw/zinc/32/43/24/1066324324.db2.gz KLPMUJGQYSXERK-OWOJBTEDSA-N 0 1 309.743 4.127 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC001308891629 1066372703 /nfs/dbraw/zinc/37/27/03/1066372703.db2.gz RSTVDMQUORZJSH-UHFFFAOYSA-N 0 1 311.878 4.155 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c(Cl)c1 ZINC001308906837 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4.265 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000817968097 1042135213 /nfs/dbraw/zinc/13/52/13/1042135213.db2.gz PAHCCBYFZLFPSY-PIGZYNQJSA-N 0 1 316.832 4.356 20 10 DICDMN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000756873747 1042147152 /nfs/dbraw/zinc/14/71/52/1042147152.db2.gz JKKBQHWYWLTMFZ-BPLDGKMQSA-N 0 1 311.853 4.290 20 10 DICDMN CC(C)C[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001207630488 1042316013 /nfs/dbraw/zinc/31/60/13/1042316013.db2.gz CYRYVSXMHDUWER-UHFFFAOYSA-N 0 1 304.821 4.099 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001207630488 1042316020 /nfs/dbraw/zinc/31/60/20/1042316020.db2.gz CYRYVSXMHDUWER-UHFFFAOYSA-N 0 1 304.821 4.099 20 10 DICDMN CC[C@H](NCc1ccc(N(CC)CC)cc1)c1nccs1 ZINC000078004208 1042489320 /nfs/dbraw/zinc/48/93/20/1042489320.db2.gz LTAFWFNSMDHHFF-INIZCTEOSA-N 0 1 303.475 4.230 20 10 DICDMN CC[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(C)cc1O ZINC000794814394 1043058923 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C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000186615449 1043231946 /nfs/dbraw/zinc/23/19/46/1043231946.db2.gz FHCDOQVUVGRGEJ-LBPRGKRZSA-N 0 1 319.832 4.124 20 10 DICDMN CCOc1ccc(N[C@@H](C)c2ccc(F)c(F)c2O)cc1OC ZINC000187883264 1043252580 /nfs/dbraw/zinc/25/25/80/1043252580.db2.gz YDJFQMZGYNYQNP-JTQLQIEISA-N 0 1 323.339 4.251 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(F)cc1F ZINC000122687650 1043321672 /nfs/dbraw/zinc/32/16/72/1043321672.db2.gz MYCZLCVCISVMMQ-CYBMUJFWSA-N 0 1 304.384 4.190 20 10 DICDMN Cc1cc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)on1 ZINC000270787520 1043396999 /nfs/dbraw/zinc/39/69/99/1043396999.db2.gz LGAKLHURILSISM-INIZCTEOSA-N 0 1 322.408 4.452 20 10 DICDMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(N2CCCCC2)cc1 ZINC000271527191 1043431287 /nfs/dbraw/zinc/43/12/87/1043431287.db2.gz QIROGHJPWYCCAN-HNAYVOBHSA-N 0 1 324.472 4.128 20 10 DICDMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872133344 1043475984 /nfs/dbraw/zinc/47/59/84/1043475984.db2.gz LWIBJRFZCVHJCQ-WBVHZDCISA-N 0 1 324.472 4.187 20 10 DICDMN COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1O ZINC000874082697 1043568198 /nfs/dbraw/zinc/56/81/98/1043568198.db2.gz YQEKSPBVZMNNCM-LBPRGKRZSA-N 0 1 321.367 4.180 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(Cl)ccc1[O-] ZINC000927060715 1043675812 /nfs/dbraw/zinc/67/58/12/1043675812.db2.gz FIAZZNCUJUNEFM-IAQYHMDHSA-N 0 1 302.805 4.169 20 10 DICDMN CC(C)[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000927067781 1043680483 /nfs/dbraw/zinc/68/04/83/1043680483.db2.gz GRTXCPJRTJFFIW-LIRRHRJNSA-N 0 1 323.440 4.327 20 10 DICDMN C[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc2ccccc2c1O ZINC000927107073 1043687543 /nfs/dbraw/zinc/68/75/43/1043687543.db2.gz BKLDMAWXZSJBGM-CYBMUJFWSA-N 0 1 321.424 4.007 20 10 DICDMN CC[C@@H](C)n1ncc(NCc2ccc(F)c(F)c2O)c1C1CC1 ZINC000877133502 1043747246 /nfs/dbraw/zinc/74/72/46/1043747246.db2.gz DAQKJGIXZXVEPC-SNVBAGLBSA-N 0 1 321.371 4.327 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000877536580 1043773342 /nfs/dbraw/zinc/77/33/42/1043773342.db2.gz WCHLYBAXURSDRD-PHIMTYICSA-N 0 1 323.305 4.223 20 10 DICDMN C[C@@H](NCc1cc(C(F)(F)F)co1)c1ccc(N(C)C)cc1 ZINC000878454767 1043895337 /nfs/dbraw/zinc/89/53/37/1043895337.db2.gz HXLWFDHVJAKKER-LLVKDONJSA-N 0 1 312.335 4.215 20 10 DICDMN COc1cc(Cl)cc(C[N@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000290212363 1043928184 /nfs/dbraw/zinc/92/81/84/1043928184.db2.gz QREWRYOHFGELFB-UHFFFAOYSA-N 0 1 319.779 4.064 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCC(F)(F)CC2)c1[O-] ZINC000290212363 1043928195 /nfs/dbraw/zinc/92/81/95/1043928195.db2.gz QREWRYOHFGELFB-UHFFFAOYSA-N 0 1 319.779 4.064 20 10 DICDMN CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000826139444 1044004869 /nfs/dbraw/zinc/00/48/69/1044004869.db2.gz CBOBFEMRYSLVAP-UHFFFAOYSA-N 0 1 305.805 4.043 20 10 DICDMN Cc1ccc([C@H](C)NCc2c(F)cc(F)c(F)c2F)c(O)c1 ZINC000281127701 1044098473 /nfs/dbraw/zinc/09/84/73/1044098473.db2.gz NCOQECDLIFDXRB-VIFPVBQESA-N 0 1 313.294 4.108 20 10 DICDMN Cc1cc(O)c(CNCc2ccc(C)nc2Cl)c(Cl)c1 ZINC000883293595 1044260756 /nfs/dbraw/zinc/26/07/56/1044260756.db2.gz YWNDRNJXXGGSFJ-UHFFFAOYSA-N 0 1 311.212 4.001 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000883353401 1044281749 /nfs/dbraw/zinc/28/17/49/1044281749.db2.gz UDCDWYOMWYMJDH-OGWOLHLISA-N 0 1 313.441 4.401 20 10 DICDMN COc1ccc(O)c([C@H](C)N[C@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883376479 1044289043 /nfs/dbraw/zinc/28/90/43/1044289043.db2.gz LRVPTQSJTSIQQA-WILYLXEWSA-N 0 1 315.388 4.077 20 10 DICDMN COc1ccc(O)c([C@H](C)N[C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000883376476 1044289553 /nfs/dbraw/zinc/28/95/53/1044289553.db2.gz LRVPTQSJTSIQQA-KHDYIWLOSA-N 0 1 315.388 4.077 20 10 DICDMN COc1cccc([C@H](C)N[C@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883377850 1044291964 /nfs/dbraw/zinc/29/19/64/1044291964.db2.gz SADVDVGJNYXPOD-XZOAIXRZSA-N 0 1 315.388 4.077 20 10 DICDMN CC[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc(Cl)ccc1[O-] ZINC000883381845 1044294016 /nfs/dbraw/zinc/29/40/16/1044294016.db2.gz UMBYRBYZXOSCBE-HNNXBMFYSA-N 0 1 309.837 4.046 20 10 DICDMN CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000293655282 1044311072 /nfs/dbraw/zinc/31/10/72/1044311072.db2.gz LNDFIDDRFJJKJA-JTQLQIEISA-N 0 1 308.809 4.145 20 10 DICDMN CC[C@@H](NCc1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000133040968 1044353218 /nfs/dbraw/zinc/35/32/18/1044353218.db2.gz YMGKAKYRYLPFTB-GOSISDBHSA-N 0 1 304.384 4.272 20 10 DICDMN Oc1ccccc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000361066273 1044354821 /nfs/dbraw/zinc/35/48/21/1044354821.db2.gz KBOTXANPAWNBHB-INIZCTEOSA-N 0 1 308.381 4.261 20 10 DICDMN C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1ccccc1O ZINC000361292548 1044384489 /nfs/dbraw/zinc/38/44/89/1044384489.db2.gz HCOZALBJTNTBJX-MGPUTAFESA-N 0 1 304.393 4.227 20 10 DICDMN Cc1csc(C2(NCc3ccc(N(C)C)cc3)CCCC2)n1 ZINC000112711107 1044446158 /nfs/dbraw/zinc/44/61/58/1044446158.db2.gz PWBAHPREZDWCNA-UHFFFAOYSA-N 0 1 315.486 4.077 20 10 DICDMN CO[C@@H](C)c1nc(CN[C@@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000294821905 1044464193 /nfs/dbraw/zinc/46/41/93/1044464193.db2.gz QMLXQFOOVVAMBZ-STQMWFEESA-N 0 1 320.458 4.024 20 10 DICDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc2ccccc2c1[O-] ZINC000134791865 1044532545 /nfs/dbraw/zinc/53/25/45/1044532545.db2.gz PCEUOLMTUHQXTA-KGUHOSCRSA-N 0 1 323.436 4.154 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)OCO2 ZINC000021811347 1044794407 /nfs/dbraw/zinc/79/44/07/1044794407.db2.gz XWWAJQUOACKICK-UHFFFAOYSA-N 0 1 312.152 4.040 20 10 DICDMN Cc1csc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000126271826 1044812618 /nfs/dbraw/zinc/81/26/18/1044812618.db2.gz RQEXUUGDPKWAHH-OAHLLOKOSA-N 0 1 315.486 4.293 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1cccnc1C(F)(F)F ZINC000528390203 1045348806 /nfs/dbraw/zinc/34/88/06/1045348806.db2.gz ASIDSORHXHHDLM-UHFFFAOYSA-N 0 1 324.346 4.218 20 10 DICDMN Cc1cncc(CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000189762951 1045367068 /nfs/dbraw/zinc/36/70/68/1045367068.db2.gz IFXHRVQGWFTXLZ-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cccs2)C2CC2)c1[O-] ZINC000779196763 1045367908 /nfs/dbraw/zinc/36/79/08/1045367908.db2.gz WARPDWTWLBLTKC-INIZCTEOSA-N 0 1 319.401 4.036 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)c1[O-] ZINC000779197443 1045368453 /nfs/dbraw/zinc/36/84/53/1045368453.db2.gz APJNUCWIONQAKS-QWHCGFSZSA-N 0 1 315.388 4.016 20 10 DICDMN CC[C@H](NCc1ccc(N(C)C)cc1)c1cc(F)ccc1F ZINC000077454626 1045521612 /nfs/dbraw/zinc/52/16/12/1045521612.db2.gz VJXZKWHGWAQJCV-SFHVURJKSA-N 0 1 304.384 4.272 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OC ZINC000750874550 1045565428 /nfs/dbraw/zinc/56/54/28/1045565428.db2.gz AUNTYGPETQYUTO-UHFFFAOYSA-N 0 1 319.832 4.466 20 10 DICDMN C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000800499869 1045634936 /nfs/dbraw/zinc/63/49/36/1045634936.db2.gz NTQVYPAVRDXGCN-GXFFZTMASA-N 0 1 313.363 4.495 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cc(Cl)ccc1[O-] ZINC000800987419 1045678035 /nfs/dbraw/zinc/67/80/35/1045678035.db2.gz XSRVYGACWORHHP-DOMZBBRYSA-N 0 1 317.816 4.090 20 10 DICDMN CCCCN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1O ZINC000801599275 1045753201 /nfs/dbraw/zinc/75/32/01/1045753201.db2.gz IMVUYWMRWMVQQC-UHFFFAOYSA-N 0 1 316.445 4.480 20 10 DICDMN C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000802308903 1045951908 /nfs/dbraw/zinc/95/19/08/1045951908.db2.gz KPOMXRWSKWYYQZ-JHJVBQTASA-N 0 1 311.853 4.290 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc2ccccc2c1[O-] ZINC000192918266 1045954381 /nfs/dbraw/zinc/95/43/81/1045954381.db2.gz DDOMGFRWCWAQGX-CYBMUJFWSA-N 0 1 321.376 4.125 20 10 DICDMN Cc1cc(CN2CCC[C@H]2c2cc[nH]n2)ccc1N1CCCCC1 ZINC000829312957 1045967979 /nfs/dbraw/zinc/96/79/79/1045967979.db2.gz HMRPZIYKXJEPBQ-FQEVSTJZSA-N 0 1 324.472 4.046 20 10 DICDMN Cc1cc(CN2CCC[C@@H]2c2cc[nH]n2)ccc1N1CCCCC1 ZINC000829312970 1045968043 /nfs/dbraw/zinc/96/80/43/1045968043.db2.gz HMRPZIYKXJEPBQ-HXUWFJFHSA-N 0 1 324.472 4.046 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001137837834 1045979731 /nfs/dbraw/zinc/97/97/31/1045979731.db2.gz WJDVONZACHISQD-KRWDZBQOSA-N 0 1 303.352 4.398 20 10 DICDMN COc1cccc([C@H]2CCCC[N@H+]2Cc2c([O-])cccc2F)c1 ZINC001137837305 1045981468 /nfs/dbraw/zinc/98/14/68/1045981468.db2.gz ANFIUOMGKWDDMV-GOSISDBHSA-N 0 1 315.388 4.267 20 10 DICDMN Cc1cc(CN(C)C2CC(F)(F)C2)c(C)n1-c1ccccc1 ZINC001137854271 1045985497 /nfs/dbraw/zinc/98/54/97/1045985497.db2.gz PEISGNVBRCUSGF-UHFFFAOYSA-N 0 1 304.384 4.324 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000755928773 1046029282 /nfs/dbraw/zinc/02/92/82/1046029282.db2.gz ZMDDCSWZCWHNTB-MRXNPFEDSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000755928773 1046029298 /nfs/dbraw/zinc/02/92/98/1046029298.db2.gz ZMDDCSWZCWHNTB-MRXNPFEDSA-N 0 1 322.383 4.069 20 10 DICDMN Oc1ccccc1CN(Cc1ccco1)Cc1cccc(F)c1 ZINC000756318225 1046064607 /nfs/dbraw/zinc/06/46/07/1046064607.db2.gz LDVUWDBCMKXKIB-UHFFFAOYSA-N 0 1 311.356 4.327 20 10 DICDMN CSC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000193804039 1046071984 /nfs/dbraw/zinc/07/19/84/1046071984.db2.gz NSWOSUKYXSBIGS-CYBMUJFWSA-N 0 1 301.455 4.482 20 10 DICDMN C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc2ccccc2c1[O-] ZINC000756364739 1046072511 /nfs/dbraw/zinc/07/25/11/1046072511.db2.gz VBBORYQNBYLYGC-CQSZACIVSA-N 0 1 317.392 4.044 20 10 DICDMN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756381101 1046073603 /nfs/dbraw/zinc/07/36/03/1046073603.db2.gz WXBDPWFXNMETLX-QWRGUYRKSA-N 0 1 324.218 4.030 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000756474413 1046086027 /nfs/dbraw/zinc/08/60/27/1046086027.db2.gz IGGZZWMLVIQLRW-VXGBXAGGSA-N 0 1 310.235 4.162 20 10 DICDMN C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc2ccccc2c1[O-] ZINC000194401254 1046098217 /nfs/dbraw/zinc/09/82/17/1046098217.db2.gz PZSCIQYMXQQMKX-CYBMUJFWSA-N 0 1 321.376 4.125 20 10 DICDMN CCc1nc([C@H](C)N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cs1 ZINC000756568386 1046100606 /nfs/dbraw/zinc/10/06/06/1046100606.db2.gz DQSOVGFZHJTYIK-NHCYSSNCSA-N 0 1 320.433 4.449 20 10 DICDMN [O-]c1c(F)cccc1C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001138127439 1046102143 /nfs/dbraw/zinc/10/21/43/1046102143.db2.gz BPWMPZWBFPKTNI-UHFFFAOYSA-N 0 1 322.383 4.129 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001138127787 1046102262 /nfs/dbraw/zinc/10/22/62/1046102262.db2.gz QILPDPSQQNJRRM-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000756613484 1046110798 /nfs/dbraw/zinc/11/07/98/1046110798.db2.gz PSDNCXLINMSJHP-HFBAOOFYSA-N 0 1 309.837 4.044 20 10 DICDMN CO[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000756627122 1046112465 /nfs/dbraw/zinc/11/24/65/1046112465.db2.gz QTDLBGISAOKOCW-DYVFJYSZSA-N 0 1 301.430 4.257 20 10 DICDMN CC(C)c1csc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756657740 1046118863 /nfs/dbraw/zinc/11/88/63/1046118863.db2.gz FWFXAZUOEXWLFO-PWSUYJOCSA-N 0 1 320.433 4.449 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(Cl)ccc1[O-] ZINC000756757406 1046126624 /nfs/dbraw/zinc/12/66/24/1046126624.db2.gz BNOFCTZVCNKJSR-XNKSSIQNSA-N 0 1 313.828 4.282 20 10 DICDMN Cc1c(CN2CCO[C@H](c3ccccc3)C2)c2ccccc2n1C ZINC001138257099 1046131554 /nfs/dbraw/zinc/13/15/54/1046131554.db2.gz VZVGKNNTBNKYET-NRFANRHFSA-N 0 1 320.436 4.060 20 10 DICDMN Cc1c(CN2CCC[C@@H]2c2nccs2)c2ccccc2n1C ZINC001138258344 1046132001 /nfs/dbraw/zinc/13/20/01/1046132001.db2.gz QTDGKUGSIZXAJP-QGZVFWFLSA-N 0 1 311.454 4.280 20 10 DICDMN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756785072 1046133446 /nfs/dbraw/zinc/13/34/46/1046133446.db2.gz RWEBTLXDNGDBKW-PIGZYNQJSA-N 0 1 302.805 4.243 20 10 DICDMN Cc1ccc([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c(O)c1C ZINC000757663094 1046199583 /nfs/dbraw/zinc/19/95/83/1046199583.db2.gz HTBFDRFMYWMKTH-ABAIWWIYSA-N 0 1 319.351 4.072 20 10 DICDMN C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc2ccccc2c1[O-] ZINC000903284039 1046221550 /nfs/dbraw/zinc/22/15/50/1046221550.db2.gz VBOGWKOFMRETAA-GGRHHHIRSA-N 0 1 311.425 4.154 20 10 DICDMN C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc2ccccc2c1[O-] ZINC000903284037 1046222089 /nfs/dbraw/zinc/22/20/89/1046222089.db2.gz VBOGWKOFMRETAA-DBTHTNCCSA-N 0 1 311.425 4.154 20 10 DICDMN CCN(CC)c1ccc(CN(C)[C@H](C)c2cccnc2)cc1F ZINC000757890730 1046223563 /nfs/dbraw/zinc/22/35/63/1046223563.db2.gz JAQAOSFRXXUJMO-OAHLLOKOSA-N 0 1 315.436 4.260 20 10 DICDMN Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000903303810 1046230189 /nfs/dbraw/zinc/23/01/89/1046230189.db2.gz WEWFGJMVPGILTG-CYBMUJFWSA-N 0 1 319.832 4.006 20 10 DICDMN C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903335731 1046247886 /nfs/dbraw/zinc/24/78/86/1046247886.db2.gz STTXFNLKJLHWEC-APPDUMDISA-N 0 1 302.805 4.243 20 10 DICDMN C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903429104 1046276435 /nfs/dbraw/zinc/27/64/35/1046276435.db2.gz RUKIZOIQFCCESI-DIFFPNOSSA-N 0 1 302.805 4.243 20 10 DICDMN C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903429102 1046276742 /nfs/dbraw/zinc/27/67/42/1046276742.db2.gz RUKIZOIQFCCESI-APPDUMDISA-N 0 1 302.805 4.243 20 10 DICDMN C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903427838 1046278252 /nfs/dbraw/zinc/27/82/52/1046278252.db2.gz AAZAKQQPDVKYEV-GTNSWQLSSA-N 0 1 302.805 4.243 20 10 DICDMN C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001168189606 1046341440 /nfs/dbraw/zinc/34/14/40/1046341440.db2.gz SVYYPNIDLRKBDS-ZDUSSCGKSA-N 0 1 301.817 4.035 20 10 DICDMN C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC=CCC1 ZINC000832712525 1046379868 /nfs/dbraw/zinc/37/98/68/1046379868.db2.gz GJKWZLZZKDJPSK-HNNXBMFYSA-N 0 1 314.212 4.062 20 10 DICDMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000780793435 1046406206 /nfs/dbraw/zinc/40/62/06/1046406206.db2.gz NPFKZNQKRRQSDD-YPMHNXCESA-N 0 1 318.358 4.055 20 10 DICDMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792698 1046407250 /nfs/dbraw/zinc/40/72/50/1046407250.db2.gz IOJMYMNCOWWDDZ-GXSJLCMTSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792698 1046407257 /nfs/dbraw/zinc/40/72/57/1046407257.db2.gz IOJMYMNCOWWDDZ-GXSJLCMTSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000780793579 1046407426 /nfs/dbraw/zinc/40/74/26/1046407426.db2.gz RTGOCNUFFWUVEP-GXSJLCMTSA-N 0 1 307.743 4.208 20 10 DICDMN CCN(C)c1ccc([C@H](C)N[C@H](C)c2nc(C)cs2)cc1 ZINC000246861742 1046432656 /nfs/dbraw/zinc/43/26/56/1046432656.db2.gz CBYWZVPCEITVFM-UONOGXRCSA-N 0 1 303.475 4.319 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000781909013 1046485969 /nfs/dbraw/zinc/48/59/69/1046485969.db2.gz NQVFLQXDAODZBX-NSHDSACASA-N 0 1 312.251 4.084 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001139685236 1046498461 /nfs/dbraw/zinc/49/84/61/1046498461.db2.gz BTWOPZQPBYWNPH-HNNXBMFYSA-N 0 1 317.379 4.440 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001139683274 1046498497 /nfs/dbraw/zinc/49/84/97/1046498497.db2.gz JZSVQWQTYJZFDX-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001139685400 1046499808 /nfs/dbraw/zinc/49/98/08/1046499808.db2.gz YAHZERIVTSMQEC-OAHLLOKOSA-N 0 1 317.379 4.125 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001140055166 1046578326 /nfs/dbraw/zinc/57/83/26/1046578326.db2.gz MWGLXXILIMYEON-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN Oc1ccc(F)cc1CN(Cc1ccccc1)Cc1ccncc1 ZINC001140058246 1046578527 /nfs/dbraw/zinc/57/85/27/1046578527.db2.gz WGBHZRRHAAFQCF-UHFFFAOYSA-N 0 1 322.383 4.129 20 10 DICDMN CCC[N@H+](Cc1c([O-])cccc1Br)[C@H](C)CC ZINC001140098819 1046587889 /nfs/dbraw/zinc/58/78/89/1046587889.db2.gz MOKWWIFEOYOQOH-LLVKDONJSA-N 0 1 300.240 4.165 20 10 DICDMN CCC[N@@H+](Cc1c([O-])cccc1Br)[C@H](C)CC ZINC001140098819 1046587900 /nfs/dbraw/zinc/58/79/00/1046587900.db2.gz MOKWWIFEOYOQOH-LLVKDONJSA-N 0 1 300.240 4.165 20 10 DICDMN Oc1cccc(Br)c1CN1CC[C@@H]1c1ccccc1 ZINC001140101249 1046589851 /nfs/dbraw/zinc/58/98/51/1046589851.db2.gz NCOQNOZWIZRSQO-OAHLLOKOSA-N 0 1 318.214 4.102 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140344941 1046668935 /nfs/dbraw/zinc/66/89/35/1046668935.db2.gz NYDDGCNCWCXEBG-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140344941 1046668937 /nfs/dbraw/zinc/66/89/37/1046668937.db2.gz NYDDGCNCWCXEBG-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN C[C@H]([NH2+]CCCC(C)(F)F)c1cc(Br)ccc1[O-] ZINC000834818972 1046676646 /nfs/dbraw/zinc/67/66/46/1046676646.db2.gz QSQHHQCPZWOHAW-VIFPVBQESA-N 0 1 322.193 4.241 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000834883218 1046697005 /nfs/dbraw/zinc/69/70/05/1046697005.db2.gz NONRVPYYKUPWLS-ZIAGYGMSSA-N 0 1 323.864 4.354 20 10 DICDMN CCOC1CC(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)C1 ZINC000795910913 1046697533 /nfs/dbraw/zinc/69/75/33/1046697533.db2.gz HEUZEBLDVRROCE-UHFFFAOYSA-N 0 1 317.473 4.342 20 10 DICDMN CCOC1CC(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)C1 ZINC000795910913 1046697535 /nfs/dbraw/zinc/69/75/35/1046697535.db2.gz HEUZEBLDVRROCE-UHFFFAOYSA-N 0 1 317.473 4.342 20 10 DICDMN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(N2CCCCC2)cc1 ZINC000834895711 1046704263 /nfs/dbraw/zinc/70/42/63/1046704263.db2.gz CVOGJVZYGSCACE-BXWFABGCSA-N 0 1 324.472 4.230 20 10 DICDMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(N2CCCCC2)cc1 ZINC000834895716 1046704472 /nfs/dbraw/zinc/70/44/72/1046704472.db2.gz CVOGJVZYGSCACE-JTDSTZFVSA-N 0 1 324.472 4.230 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001140466246 1046739536 /nfs/dbraw/zinc/73/95/36/1046739536.db2.gz CLJNRECLSHLBHZ-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001140466246 1046739549 /nfs/dbraw/zinc/73/95/49/1046739549.db2.gz CLJNRECLSHLBHZ-GFCCVEGCSA-N 0 1 305.780 4.174 20 10 DICDMN CC(C)c1csc(CNC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835042492 1046746852 /nfs/dbraw/zinc/74/68/52/1046746852.db2.gz IXJFUUBEGCIAHI-AATRIKPKSA-N 0 1 315.486 4.136 20 10 DICDMN CC[C@](C)(NC/C=C\c1ccc(N(C)C)cc1)c1nccs1 ZINC000835040612 1046747015 /nfs/dbraw/zinc/74/70/15/1046747015.db2.gz QMHIQIXUUYNTCY-MJRGOJFPSA-N 0 1 315.486 4.137 20 10 DICDMN CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000835053897 1046752454 /nfs/dbraw/zinc/75/24/54/1046752454.db2.gz PZRCVHVVFDVSAQ-ZPUOCTKUSA-N 0 1 309.457 4.244 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001140583254 1046792929 /nfs/dbraw/zinc/79/29/29/1046792929.db2.gz BMYIPGQMUBOWET-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001140583861 1046793506 /nfs/dbraw/zinc/79/35/06/1046793506.db2.gz WKRQNAWITXXYFH-NSHDSACASA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001140582941 1046794133 /nfs/dbraw/zinc/79/41/33/1046794133.db2.gz QCPULPUNLIXOBI-QGZVFWFLSA-N 0 1 303.352 4.398 20 10 DICDMN Cc1cc(CN(Cc2ccccc2)Cc2cc(C)ccc2O)on1 ZINC001140622905 1046814961 /nfs/dbraw/zinc/81/49/61/1046814961.db2.gz DWNQPVDGBSQSLR-UHFFFAOYSA-N 0 1 322.408 4.199 20 10 DICDMN CCN(Cc1ccccc1O)Cc1c(Cl)cccc1OC ZINC001140730625 1046881242 /nfs/dbraw/zinc/88/12/42/1046881242.db2.gz SPVZABKCQBDOOP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)Cc1ccccc1O ZINC000303150032 1046881524 /nfs/dbraw/zinc/88/15/24/1046881524.db2.gz FVYYNOXYWDVQJF-UHFFFAOYSA-N 0 1 314.385 4.021 20 10 DICDMN CCN(Cc1ccccc1O)Cc1ccc(OC)cc1Cl ZINC001140823147 1046917193 /nfs/dbraw/zinc/91/71/93/1046917193.db2.gz VWXHTOFVCJFACE-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC1(F)F ZINC001140921667 1046950708 /nfs/dbraw/zinc/95/07/08/1046950708.db2.gz MGYCHMCKGOBPQB-GFCCVEGCSA-N 0 1 316.823 4.273 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC001140923523 1046951627 /nfs/dbraw/zinc/95/16/27/1046951627.db2.gz CNJZAUMTCAGCJH-GOSISDBHSA-N 0 1 315.848 4.138 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC001140923523 1046951635 /nfs/dbraw/zinc/95/16/35/1046951635.db2.gz CNJZAUMTCAGCJH-GOSISDBHSA-N 0 1 315.848 4.138 20 10 DICDMN Cc1ccc(CN(Cc2ccccc2)Cc2ccccn2)c(O)c1 ZINC001140947685 1046958022 /nfs/dbraw/zinc/95/80/22/1046958022.db2.gz ARWPZGFZHDYXFI-UHFFFAOYSA-N 0 1 318.420 4.298 20 10 DICDMN CCC(O)(CC)C(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001203098028 1047026964 /nfs/dbraw/zinc/02/69/64/1047026964.db2.gz OKHHVDRDUHGMSP-UHFFFAOYSA-N 0 1 313.869 4.021 20 10 DICDMN CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(O)ccc1O ZINC001141158193 1047030155 /nfs/dbraw/zinc/03/01/55/1047030155.db2.gz VSVZYBQRHPYZGM-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN CC(C)(C)c1cc(O)c(O)c(CN2CCc3ccsc3C2)c1 ZINC000760288318 1047080850 /nfs/dbraw/zinc/08/08/50/1047080850.db2.gz HXLALCHQQCSZJZ-UHFFFAOYSA-N 0 1 317.454 4.015 20 10 DICDMN COc1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1C ZINC000098172995 1047161766 /nfs/dbraw/zinc/16/17/66/1047161766.db2.gz RQTMGJHWHPGXJX-KRWDZBQOSA-N 0 1 315.388 4.146 20 10 DICDMN CC(C)CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000387723371 1047285916 /nfs/dbraw/zinc/28/59/16/1047285916.db2.gz NIEYXSJGKVBXCQ-HNNXBMFYSA-N 0 1 301.430 4.259 20 10 DICDMN C[C@@H](NCc1ccsc1Br)c1ccccc1O ZINC000388547634 1047286624 /nfs/dbraw/zinc/28/66/24/1047286624.db2.gz JEXUWVITWBMZAZ-SECBINFHSA-N 0 1 312.232 4.067 20 10 DICDMN COc1cc(CN2CC3(CCC3)[C@@H]2c2ccco2)c(O)cc1C ZINC000840139536 1047288758 /nfs/dbraw/zinc/28/87/58/1047288758.db2.gz JNTUGKUSJDBWGV-SFHVURJKSA-N 0 1 313.397 4.029 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142527249 1047308532 /nfs/dbraw/zinc/30/85/32/1047308532.db2.gz PVGQOOFGAPEERZ-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])OC ZINC000394444154 1047312433 /nfs/dbraw/zinc/31/24/33/1047312433.db2.gz LYGOOYVXRPBWEU-SUNYJGFJSA-N 0 1 301.430 4.257 20 10 DICDMN CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])OC ZINC000394444130 1047312776 /nfs/dbraw/zinc/31/27/76/1047312776.db2.gz LYGOOYVXRPBWEU-DEYYWGMASA-N 0 1 301.430 4.257 20 10 DICDMN C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530417 1047318486 /nfs/dbraw/zinc/31/84/86/1047318486.db2.gz HDRKXLNZNIZIMF-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN COc1ccc([C@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1F ZINC000840902299 1047357325 /nfs/dbraw/zinc/35/73/25/1047357325.db2.gz NTQNKYPNTRRJIM-NSHDSACASA-N 0 1 323.795 4.353 20 10 DICDMN Cc1cc(O)c(CN[C@@H]2CCOc3ccc(F)cc32)c(Cl)c1 ZINC000840938427 1047360830 /nfs/dbraw/zinc/36/08/30/1047360830.db2.gz DKBXNPQXLSNXLR-OAHLLOKOSA-N 0 1 321.779 4.107 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(Cl)c1 ZINC000840938427 1047360845 /nfs/dbraw/zinc/36/08/45/1047360845.db2.gz DKBXNPQXLSNXLR-OAHLLOKOSA-N 0 1 321.779 4.107 20 10 DICDMN CCC(CC)c1cc(CNCc2ccc(N(C)C)cc2C)on1 ZINC000840934119 1047361784 /nfs/dbraw/zinc/36/17/84/1047361784.db2.gz MIIPDZZVAMOIKU-UHFFFAOYSA-N 0 1 315.461 4.242 20 10 DICDMN Cc1cc(O)c(CN[C@@H]2CCOc3c(F)cccc32)c(Cl)c1 ZINC000840940169 1047363307 /nfs/dbraw/zinc/36/33/07/1047363307.db2.gz VPFGVWXXYUZZAP-OAHLLOKOSA-N 0 1 321.779 4.107 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(Cl)c1 ZINC000840940169 1047363325 /nfs/dbraw/zinc/36/33/25/1047363325.db2.gz VPFGVWXXYUZZAP-OAHLLOKOSA-N 0 1 321.779 4.107 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000749300065 1047409479 /nfs/dbraw/zinc/40/94/79/1047409479.db2.gz WDNAMJZYECQJQY-KRWDZBQOSA-N 0 1 319.857 4.166 20 10 DICDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841744484 1047447199 /nfs/dbraw/zinc/44/71/99/1047447199.db2.gz HYWOCFKLFIQXJM-SJCJKPOMSA-N 0 1 305.805 4.084 20 10 DICDMN CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743796 1047449099 /nfs/dbraw/zinc/44/90/99/1047449099.db2.gz CEKFQKFZKRNDGJ-LBPRGKRZSA-N 0 1 320.820 4.080 20 10 DICDMN COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841747974 1047449627 /nfs/dbraw/zinc/44/96/27/1047449627.db2.gz GCKWMZRZRSUUBR-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccc1C ZINC000841747775 1047449943 /nfs/dbraw/zinc/44/99/43/1047449943.db2.gz SXUKHLHFVXRFGQ-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841748911 1047449981 /nfs/dbraw/zinc/44/99/81/1047449981.db2.gz BVWLECJJSFZAKP-NHYWBVRUSA-N 0 1 323.820 4.239 20 10 DICDMN CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(Cl)cc2O)o1 ZINC000841748911 1047449991 /nfs/dbraw/zinc/44/99/91/1047449991.db2.gz BVWLECJJSFZAKP-NHYWBVRUSA-N 0 1 323.820 4.239 20 10 DICDMN C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841748950 1047450787 /nfs/dbraw/zinc/45/07/87/1047450787.db2.gz CFCDKMMTMOHFEL-DYVFJYSZSA-N 0 1 319.832 4.210 20 10 DICDMN C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(Cl)cc1[O-] ZINC000841753750 1047452091 /nfs/dbraw/zinc/45/20/91/1047452091.db2.gz VPQZRFYZXIAAFY-BONVTDFDSA-N 0 1 321.779 4.359 20 10 DICDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841757257 1047453247 /nfs/dbraw/zinc/45/32/47/1047453247.db2.gz COYSTNILIZJRJQ-ZJUUUORDSA-N 0 1 310.850 4.476 20 10 DICDMN CC[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000841758231 1047453609 /nfs/dbraw/zinc/45/36/09/1047453609.db2.gz ABMBTAMHNZWALI-SJORKVTESA-N 0 1 317.816 4.358 20 10 DICDMN COc1ccc(C)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759716 1047453784 /nfs/dbraw/zinc/45/37/84/1047453784.db2.gz POKIRADTPNAZET-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760600 1047453832 /nfs/dbraw/zinc/45/38/32/1047453832.db2.gz SYCCRRZIVDXZAP-ZBEGNZNMSA-N 0 1 317.816 4.392 20 10 DICDMN CCc1nc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841757253 1047453938 /nfs/dbraw/zinc/45/39/38/1047453938.db2.gz COYSTNILIZJRJQ-NXEZZACHSA-N 0 1 310.850 4.476 20 10 DICDMN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1F ZINC000841763697 1047454892 /nfs/dbraw/zinc/45/48/92/1047454892.db2.gz OKLNREXONRHIJC-NSHDSACASA-N 0 1 323.795 4.434 20 10 DICDMN COCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccc1F ZINC000841765560 1047455649 /nfs/dbraw/zinc/45/56/49/1047455649.db2.gz ZQSSUKSLWKJKSO-NSHDSACASA-N 0 1 323.795 4.182 20 10 DICDMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142512592 1047463523 /nfs/dbraw/zinc/46/35/23/1047463523.db2.gz FMHPMVMVMJWYFH-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001142524750 1047464629 /nfs/dbraw/zinc/46/46/29/1047464629.db2.gz JAZIZDIBFPAHAE-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001142521075 1047465152 /nfs/dbraw/zinc/46/51/52/1047465152.db2.gz WPPWTYPLLNDYSO-CQSZACIVSA-N 0 1 303.352 4.050 20 10 DICDMN CCOc1ccc(CNC2(c3ccccc3Cl)CC2)c(O)c1 ZINC000842724935 1047499405 /nfs/dbraw/zinc/49/94/05/1047499405.db2.gz KHXVENICUGIWTC-UHFFFAOYSA-N 0 1 317.816 4.223 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])CC(F)F ZINC000842890856 1047512190 /nfs/dbraw/zinc/51/21/90/1047512190.db2.gz UKUMYQHSZUSZRG-IUCAKERBSA-N 0 1 322.193 4.097 20 10 DICDMN CN(Cc1nc2ccccc2o1)Cc1cccc(C(C)(C)C)c1O ZINC001143112309 1047532077 /nfs/dbraw/zinc/53/20/77/1047532077.db2.gz PNFKJYWAZFJQCC-UHFFFAOYSA-N 0 1 324.424 4.463 20 10 DICDMN CC(C)(C)c1cccc(CN2CCC[C@H]2c2nccs2)c1O ZINC001143111501 1047532421 /nfs/dbraw/zinc/53/24/21/1047532421.db2.gz CFOLJGRDYOHUGJ-HNNXBMFYSA-N 0 1 316.470 4.483 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1Cl ZINC001183799032 1047966696 /nfs/dbraw/zinc/96/66/96/1047966696.db2.gz IYWKONCXTSYNEC-QFBILLFUSA-N 0 1 313.828 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1Cl ZINC001183799032 1047966704 /nfs/dbraw/zinc/96/67/04/1047966704.db2.gz IYWKONCXTSYNEC-QFBILLFUSA-N 0 1 313.828 4.128 20 10 DICDMN Oc1cc2ccccc2cc1CNc1cc(Cl)nc2[nH]cnc21 ZINC001160207913 1047996923 /nfs/dbraw/zinc/99/69/23/1047996923.db2.gz WAMRALJMPGWMSQ-UHFFFAOYSA-N 0 1 324.771 4.082 20 10 DICDMN Oc1c(F)cc(Cl)cc1CN[C@H](c1ccccc1)C(F)F ZINC001184461500 1048042524 /nfs/dbraw/zinc/04/25/24/1048042524.db2.gz BPDVPZIMFNFJNV-CYBMUJFWSA-N 0 1 315.722 4.281 20 10 DICDMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000776013663 1048088969 /nfs/dbraw/zinc/08/89/69/1048088969.db2.gz MXCBWDZYUQZNPQ-AAEUAGOBSA-N 0 1 318.358 4.055 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1F ZINC001200942639 1048167001 /nfs/dbraw/zinc/16/70/01/1048167001.db2.gz YJIYJBDSOSZAII-LBPRGKRZSA-N 0 1 303.352 4.141 20 10 DICDMN Cc1cccc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001201627425 1048337847 /nfs/dbraw/zinc/33/78/47/1048337847.db2.gz XJLFUVYERDXWDK-ZDUSSCGKSA-N 0 1 304.384 4.190 20 10 DICDMN COc1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1C ZINC001201733750 1048373367 /nfs/dbraw/zinc/37/33/67/1048373367.db2.gz AIVCGRZPIVDSSF-QGZVFWFLSA-N 0 1 315.388 4.146 20 10 DICDMN CN(C)c1ccc(/C=C/CNCc2ccc(Cl)cc2F)cc1 ZINC001202093448 1048447531 /nfs/dbraw/zinc/44/75/31/1048447531.db2.gz VGUSJYDJSASBNT-ONEGZZNKSA-N 0 1 318.823 4.348 20 10 DICDMN Cc1cc(Cl)cc(CN[C@H]2COc3c2cccc3Cl)c1O ZINC000776251066 1048465654 /nfs/dbraw/zinc/46/56/54/1048465654.db2.gz PHHYEOPYSLLWPA-AWEZNQCLSA-N 0 1 324.207 4.231 20 10 DICDMN Cc1cccc(C)c1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000776253868 1048466863 /nfs/dbraw/zinc/46/68/63/1048466863.db2.gz WCILALVSOSIUGF-UHFFFAOYSA-N 0 1 320.230 4.061 20 10 DICDMN Nc1ccc(N(c2ccccc2)c2ccc3n[nH]nc3c2)cc1 ZINC001176005281 1048530630 /nfs/dbraw/zinc/53/06/30/1048530630.db2.gz VWBSHPMUOPISCJ-UHFFFAOYSA-N 0 1 301.353 4.010 20 10 DICDMN Nc1ccc(N(c2ccccc2)c2ccc3nn[nH]c3c2)cc1 ZINC001176005281 1048530640 /nfs/dbraw/zinc/53/06/40/1048530640.db2.gz VWBSHPMUOPISCJ-UHFFFAOYSA-N 0 1 301.353 4.010 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)CCOC2 ZINC000850381509 1048644906 /nfs/dbraw/zinc/64/49/06/1048644906.db2.gz DYRHJSXNBOLYSI-UHFFFAOYSA-N 0 1 324.207 4.384 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C(F)F)nc1 ZINC000850430146 1048653822 /nfs/dbraw/zinc/65/38/22/1048653822.db2.gz ITSFMSQAHDQSNY-LLVKDONJSA-N 0 1 323.362 4.075 20 10 DICDMN COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1C ZINC000850578567 1048699959 /nfs/dbraw/zinc/69/99/59/1048699959.db2.gz NIAKYNCBNVIXFQ-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN CCc1cccc2cc(CNCc3ccc4c(c3)CCO4)oc21 ZINC001177586750 1048919359 /nfs/dbraw/zinc/91/93/59/1048919359.db2.gz JOFZWSGQQHKMMP-UHFFFAOYSA-N 0 1 307.393 4.220 20 10 DICDMN C[N@H+](CC(=O)c1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581869 1048937075 /nfs/dbraw/zinc/93/70/75/1048937075.db2.gz BJGIIGXHZHIRRR-UHFFFAOYSA-N 0 1 324.207 4.014 20 10 DICDMN C[N@@H+](CC(=O)c1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581869 1048937080 /nfs/dbraw/zinc/93/70/80/1048937080.db2.gz BJGIIGXHZHIRRR-UHFFFAOYSA-N 0 1 324.207 4.014 20 10 DICDMN COc1ccc(CN2CCC[C@H]2c2cc(F)ccc2F)c(O)c1 ZINC001203628021 1048943208 /nfs/dbraw/zinc/94/32/08/1048943208.db2.gz VZSJOXOZCFGMHJ-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)c(O)c1 ZINC001203635444 1048945496 /nfs/dbraw/zinc/94/54/96/1048945496.db2.gz VDTKDSGVAHEBLP-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN Oc1ccc(Cl)cc1CN1CCSC[C@H]1c1ccccc1 ZINC001203658528 1048950423 /nfs/dbraw/zinc/95/04/23/1048950423.db2.gz ZQRYXPXTRHNQTJ-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001203658528 1048950439 /nfs/dbraw/zinc/95/04/39/1048950439.db2.gz ZQRYXPXTRHNQTJ-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001203658528 1048950448 /nfs/dbraw/zinc/95/04/48/1048950448.db2.gz ZQRYXPXTRHNQTJ-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])c1 ZINC001203663714 1048952934 /nfs/dbraw/zinc/95/29/34/1048952934.db2.gz FDEFWMAGCQAVAD-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])c1 ZINC001203663714 1048952943 /nfs/dbraw/zinc/95/29/43/1048952943.db2.gz FDEFWMAGCQAVAD-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccc(N)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000854215485 1048954612 /nfs/dbraw/zinc/95/46/12/1048954612.db2.gz IHGJZUWWBXXGRX-OAHLLOKOSA-N 0 1 324.346 4.234 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001203680234 1048958601 /nfs/dbraw/zinc/95/86/01/1048958601.db2.gz NHTXBSXFNGXZJK-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001203679039 1048958676 /nfs/dbraw/zinc/95/86/76/1048958676.db2.gz YMZAPQHMFMPGKJ-CYBMUJFWSA-N 0 1 323.845 4.453 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775488926 1049010225 /nfs/dbraw/zinc/01/02/25/1049010225.db2.gz XHCGTUAFDYMNCX-OAHLLOKOSA-N 0 1 323.795 4.434 20 10 DICDMN CCOc1ncccc1C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775491126 1049012814 /nfs/dbraw/zinc/01/28/14/1049012814.db2.gz AQPXSDXSPPLPAC-HNNXBMFYSA-N 0 1 320.820 4.080 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775497994 1049031264 /nfs/dbraw/zinc/03/12/64/1049031264.db2.gz FPRSLPONBYUFMO-WBVHZDCISA-N 0 1 311.853 4.028 20 10 DICDMN CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775497774 1049033933 /nfs/dbraw/zinc/03/39/33/1049033933.db2.gz FPRSLPONBYUFMO-RDJZCZTQSA-N 0 1 311.853 4.028 20 10 DICDMN CCN(CC)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC001203939621 1049034688 /nfs/dbraw/zinc/03/46/88/1049034688.db2.gz RPMURBUKJOLJHB-OAQYLSRUSA-N 0 1 324.468 4.106 20 10 DICDMN CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)cc1 ZINC001203942380 1049036649 /nfs/dbraw/zinc/03/66/49/1049036649.db2.gz NHZBILPHTJFLTK-UHFFFAOYSA-N 0 1 324.468 4.238 20 10 DICDMN CC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000775498763 1049038889 /nfs/dbraw/zinc/03/88/89/1049038889.db2.gz NSTDNOYXLAITST-PXAZEXFGSA-N 0 1 319.832 4.423 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775513338 1049049195 /nfs/dbraw/zinc/04/91/95/1049049195.db2.gz XKRCSLWXSVIHMD-BLLLJJGKSA-N 0 1 304.821 4.113 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775513594 1049050282 /nfs/dbraw/zinc/05/02/82/1049050282.db2.gz PZHLESWVJKRWQF-XJKSGUPXSA-N 0 1 313.869 4.131 20 10 DICDMN CC[C@H]([NH2+]Cc1sc(C)nc1C)c1cc(Cl)ccc1[O-] ZINC000775509697 1049050936 /nfs/dbraw/zinc/05/09/36/1049050936.db2.gz UOJMBWITHUMMPB-ZDUSSCGKSA-N 0 1 310.850 4.360 20 10 DICDMN CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775509636 1049051884 /nfs/dbraw/zinc/05/18/84/1049051884.db2.gz NYZFMNFLOWMECA-IAGOWNOFSA-N 0 1 319.832 4.210 20 10 DICDMN CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1cc(Cl)ccc1[O-] ZINC000775509695 1049053069 /nfs/dbraw/zinc/05/30/69/1049053069.db2.gz UOJMBWITHUMMPB-CYBMUJFWSA-N 0 1 310.850 4.360 20 10 DICDMN CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775511818 1049055013 /nfs/dbraw/zinc/05/50/13/1049055013.db2.gz JYYNVBUCLISZMF-LRDDRELGSA-N 0 1 304.821 4.285 20 10 DICDMN CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1cc(Cl)ccc1[O-] ZINC000775511178 1049055623 /nfs/dbraw/zinc/05/56/23/1049055623.db2.gz CFOWTVVJSNSULJ-OAHLLOKOSA-N 0 1 313.869 4.275 20 10 DICDMN CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775511620 1049057055 /nfs/dbraw/zinc/05/70/55/1049057055.db2.gz FRZFPLOEPBVLDI-IAGOWNOFSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000775514372 1049063075 /nfs/dbraw/zinc/06/30/75/1049063075.db2.gz ZRUVZPQYNSBTQO-CVEARBPZSA-N 0 1 311.853 4.292 20 10 DICDMN CCc1noc(CC)c1C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775514412 1049064211 /nfs/dbraw/zinc/06/42/11/1049064211.db2.gz ZXDJEJYMWNWMPT-AWEZNQCLSA-N 0 1 322.836 4.399 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000775518103 1049072902 /nfs/dbraw/zinc/07/29/02/1049072902.db2.gz CVEDSCZKSVZYOR-JLJPHGGASA-N 0 1 311.853 4.290 20 10 DICDMN CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775524981 1049088462 /nfs/dbraw/zinc/08/84/62/1049088462.db2.gz XEPFMVKUQOPFFZ-HOCLYGCPSA-N 0 1 313.869 4.129 20 10 DICDMN CC[C@H](NCc1c(F)c(F)cc(F)c1F)c1ccccc1O ZINC000775525267 1049089333 /nfs/dbraw/zinc/08/93/33/1049089333.db2.gz FLTOXEWKYHZDIQ-ZDUSSCGKSA-N 0 1 313.294 4.190 20 10 DICDMN CC[C@@H]([NH2+]CC1(CO)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775527855 1049097356 /nfs/dbraw/zinc/09/73/56/1049097356.db2.gz VFHVRIBYKUPFDL-OAHLLOKOSA-N 0 1 311.853 4.029 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cc(Cl)ccc1[O-] ZINC000775532160 1049112884 /nfs/dbraw/zinc/11/28/84/1049112884.db2.gz RXVDRQXTRKTZRN-CQSZACIVSA-N 0 1 311.212 4.335 20 10 DICDMN CC(C)[N@@H+](Cc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001204269901 1049125203 /nfs/dbraw/zinc/12/52/03/1049125203.db2.gz FZNKXGMSNRBBAO-UHFFFAOYSA-N 0 1 309.331 4.220 20 10 DICDMN Cc1ccc2oc(C[NH2+]Cc3c([O-])cccc3Cl)cc2c1 ZINC001179159763 1049138346 /nfs/dbraw/zinc/13/83/46/1049138346.db2.gz QTGIYBLUNKNQGL-UHFFFAOYSA-N 0 1 301.773 4.390 20 10 DICDMN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000775553394 1049148993 /nfs/dbraw/zinc/14/89/93/1049148993.db2.gz BKILLFFXJOXXIF-RYQLBKOJSA-N 0 1 323.864 4.292 20 10 DICDMN CC[N@@H+](Cc1cn(C(C)=O)c2ccccc12)Cc1ccccc1O ZINC001204411487 1049157412 /nfs/dbraw/zinc/15/74/12/1049157412.db2.gz ZRVIEWKASOCIJE-UHFFFAOYSA-N 0 1 322.408 4.029 20 10 DICDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542903 1049184968 /nfs/dbraw/zinc/18/49/68/1049184968.db2.gz JLJBZWFYJNJVCR-BBRMVZONSA-N 0 1 301.817 4.424 20 10 DICDMN CC[C@H](NCc1ccc2c(c1)CCO2)c1cc(F)ccc1OC ZINC001179631237 1049190637 /nfs/dbraw/zinc/19/06/37/1049190637.db2.gz KXBFASWZTCFZEU-KRWDZBQOSA-N 0 1 315.388 4.010 20 10 DICDMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462626 1049212109 /nfs/dbraw/zinc/21/21/09/1049212109.db2.gz WVTXJOCJBBNUKM-GUYCJALGSA-N 0 1 307.409 4.135 20 10 DICDMN CN(C)c1ccc(CNCc2ccsc2C(F)(F)F)cc1 ZINC000858088882 1049216040 /nfs/dbraw/zinc/21/60/40/1049216040.db2.gz WGXWCXHBNLNHKE-UHFFFAOYSA-N 0 1 314.376 4.123 20 10 DICDMN Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204672988 1049218217 /nfs/dbraw/zinc/21/82/17/1049218217.db2.gz LDSSBHGKUBUWEM-HNNXBMFYSA-N 0 1 322.811 4.250 20 10 DICDMN COc1ccc(CNCc2csc(C(F)(F)F)c2)cc1C ZINC000858120355 1049219607 /nfs/dbraw/zinc/21/96/07/1049219607.db2.gz CLZMVBBYOGRDLR-UHFFFAOYSA-N 0 1 315.360 4.374 20 10 DICDMN Cc1ccc(C(C)(C)C[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC001179877154 1049224759 /nfs/dbraw/zinc/22/47/59/1049224759.db2.gz ADWYFAKNWFEYJS-UHFFFAOYSA-N 0 1 301.405 4.249 20 10 DICDMN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001204696658 1049229383 /nfs/dbraw/zinc/22/93/83/1049229383.db2.gz DTRMMWYGGTVRGQ-UHFFFAOYSA-N 0 1 309.331 4.220 20 10 DICDMN Cc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)c1 ZINC000858341625 1049245080 /nfs/dbraw/zinc/24/50/80/1049245080.db2.gz GESMFURGQLGRJX-UHFFFAOYSA-N 0 1 303.352 4.148 20 10 DICDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC001180043755 1049263949 /nfs/dbraw/zinc/26/39/49/1049263949.db2.gz XVQWLXIIJIPQCF-LLVKDONJSA-N 0 1 309.331 4.393 20 10 DICDMN Cc1cc(CN[C@H](C)c2cncnc2C)c(C)n1-c1ccccc1 ZINC000858542330 1049272363 /nfs/dbraw/zinc/27/23/63/1049272363.db2.gz KKBUHPPCOWFDIB-OAHLLOKOSA-N 0 1 320.440 4.043 20 10 DICDMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001180125105 1049292761 /nfs/dbraw/zinc/29/27/61/1049292761.db2.gz RHVATTKPTJMFSV-JSGCOSHPSA-N 0 1 303.352 4.048 20 10 DICDMN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)c(F)c1[O-] ZINC001180153853 1049300383 /nfs/dbraw/zinc/30/03/83/1049300383.db2.gz LYGFFFDHRFXUOU-UHFFFAOYSA-N 0 1 309.331 4.220 20 10 DICDMN CN(C)c1ccc(/C=C\CN2CCC(C(F)(F)F)CC2)cc1 ZINC001180249390 1049322489 /nfs/dbraw/zinc/32/24/89/1049322489.db2.gz KTRPZROPCTZMQQ-ARJAWSKDSA-N 0 1 312.379 4.040 20 10 DICDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1C ZINC001180285097 1049336503 /nfs/dbraw/zinc/33/65/03/1049336503.db2.gz VJIWHHGCOASSHU-UHFFFAOYSA-N 0 1 323.795 4.134 20 10 DICDMN Cc1ccccc1OCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001180445794 1049357091 /nfs/dbraw/zinc/35/70/91/1049357091.db2.gz OAYFMJRSIQGZNU-UHFFFAOYSA-N 0 1 323.795 4.004 20 10 DICDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180611869 1049391201 /nfs/dbraw/zinc/39/12/01/1049391201.db2.gz FNIRHQRPNLOQQU-OAHLLOKOSA-N 0 1 303.352 4.007 20 10 DICDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001180611867 1049391318 /nfs/dbraw/zinc/39/13/18/1049391318.db2.gz FNIRHQRPNLOQQU-HNNXBMFYSA-N 0 1 303.352 4.007 20 10 DICDMN COC1CCC(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001180646985 1049394629 /nfs/dbraw/zinc/39/46/29/1049394629.db2.gz UYRVQIVYWRWJIS-UHFFFAOYSA-N 0 1 311.853 4.039 20 10 DICDMN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001205291698 1049429291 /nfs/dbraw/zinc/42/92/91/1049429291.db2.gz OQDYGOASGPDUAZ-WBMJQRKESA-N 0 1 302.805 4.024 20 10 DICDMN Cn1ccc2c1ccnc2-c1ccc(Oc2ccccc2)nc1 ZINC001205329655 1049441380 /nfs/dbraw/zinc/44/13/80/1049441380.db2.gz SXXBUVLGXATAFE-UHFFFAOYSA-N 0 1 301.349 4.428 20 10 DICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cc1 ZINC000775633853 1049470415 /nfs/dbraw/zinc/47/04/15/1049470415.db2.gz MELROJLHAVBSQJ-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN CN(Cc1csc(C(F)(F)F)c1)Cc1ccccc1O ZINC000862227751 1049479221 /nfs/dbraw/zinc/47/92/21/1049479221.db2.gz HGJJLRLXTJMKQD-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN Cc1ccc2c(c1)nc(CNCc1cc(C(C)C)ccc1O)n2C ZINC001205477663 1049481009 /nfs/dbraw/zinc/48/10/09/1049481009.db2.gz FTXRWCHHXVJBHB-UHFFFAOYSA-N 0 1 323.440 4.001 20 10 DICDMN CN(C)c1ccc(/C=C\CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC001205526553 1049491004 /nfs/dbraw/zinc/49/10/04/1049491004.db2.gz ACXGGOXQKZMYDU-NGXITPROSA-N 0 1 324.443 4.337 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1[O-] ZINC000775652482 1049524807 /nfs/dbraw/zinc/52/48/07/1049524807.db2.gz ZZNZQIHQULOCAW-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CO[C@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC001181871096 1049534604 /nfs/dbraw/zinc/53/46/04/1049534604.db2.gz SLGALBOFZWKENW-OAQYLSRUSA-N 0 1 321.420 4.197 20 10 DICDMN CSCc1ccc(C[NH2+]Cc2ccc(Cl)cc2[O-])cc1 ZINC001205736697 1049547581 /nfs/dbraw/zinc/54/75/81/1049547581.db2.gz XKFXDWBAHUKYTG-UHFFFAOYSA-N 0 1 307.846 4.198 20 10 DICDMN CN(C)c1cc(F)c(CN2CCC3(CCCC3)CC2)cc1F ZINC001181986817 1049556069 /nfs/dbraw/zinc/55/60/69/1049556069.db2.gz NYJDRKGXZJPMOS-UHFFFAOYSA-N 0 1 308.416 4.187 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182053724 1049566120 /nfs/dbraw/zinc/56/61/20/1049566120.db2.gz PUPVHGLSPSGPBK-DVOMOZLQSA-N 0 1 317.379 4.437 20 10 DICDMN COCC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCCCC1 ZINC001182173915 1049576544 /nfs/dbraw/zinc/57/65/44/1049576544.db2.gz NMXGXHNHSPHJHA-UHFFFAOYSA-N 0 1 311.853 4.041 20 10 DICDMN CC(C)c1ccc(O)c(CN2CC(C)(CC(F)(F)F)C2)c1 ZINC001182225673 1049593485 /nfs/dbraw/zinc/59/34/85/1049593485.db2.gz BRILRXZFYFCAOX-UHFFFAOYSA-N 0 1 301.352 4.290 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000775679167 1049603259 /nfs/dbraw/zinc/60/32/59/1049603259.db2.gz PHBMECFOSKDMQN-KRWDZBQOSA-N 0 1 317.816 4.009 20 10 DICDMN Cc1cc(OC(C)C)ccc1NCc1ccc(F)c(F)c1O ZINC000864018382 1049624891 /nfs/dbraw/zinc/62/48/91/1049624891.db2.gz FJIFVQTZNFOTQG-UHFFFAOYSA-N 0 1 307.340 4.378 20 10 DICDMN Cc1ccc(NCc2ccc(F)c(F)c2O)cc1OC(F)F ZINC000864020885 1049626013 /nfs/dbraw/zinc/62/60/13/1049626013.db2.gz BXWGVWHMJCKFQB-UHFFFAOYSA-N 0 1 315.266 4.192 20 10 DICDMN CC[C@@H](C)Oc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864020554 1049626332 /nfs/dbraw/zinc/62/63/32/1049626332.db2.gz ICSHBDLWLRHFDM-LLVKDONJSA-N 0 1 307.340 4.460 20 10 DICDMN CCCCOc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864025515 1049628833 /nfs/dbraw/zinc/62/88/33/1049628833.db2.gz WYRSDEQGYAENLA-UHFFFAOYSA-N 0 1 307.340 4.461 20 10 DICDMN CC(C)(C)Oc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864028276 1049630344 /nfs/dbraw/zinc/63/03/44/1049630344.db2.gz MDWZZDAKQSOBEE-UHFFFAOYSA-N 0 1 307.340 4.460 20 10 DICDMN COc1cc(SC)ccc1NCc1ccc(F)c(F)c1O ZINC000864034735 1049633143 /nfs/dbraw/zinc/63/31/43/1049633143.db2.gz XTVUEJJJPKXAPN-UHFFFAOYSA-N 0 1 311.353 4.013 20 10 DICDMN CC(C)[C@@H]1[N@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001206040925 1049637868 /nfs/dbraw/zinc/63/78/68/1049637868.db2.gz QOSNZEIUHUEXIK-AWEZNQCLSA-N 0 1 312.251 4.021 20 10 DICDMN CC(C)[C@@H]1[N@@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC001206040925 1049637871 /nfs/dbraw/zinc/63/78/71/1049637871.db2.gz QOSNZEIUHUEXIK-AWEZNQCLSA-N 0 1 312.251 4.021 20 10 DICDMN CCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715971 1049656462 /nfs/dbraw/zinc/65/64/62/1049656462.db2.gz NGRJJBHGIZJJHL-XKQJLSEDSA-N 0 1 323.864 4.071 20 10 DICDMN C[C@@H]1CN(Cc2cccc(Cl)c2O)[C@H](c2ccccc2)CO1 ZINC000775718819 1049660256 /nfs/dbraw/zinc/66/02/56/1049660256.db2.gz PYOPQWJDYIMSIG-DYVFJYSZSA-N 0 1 317.816 4.008 20 10 DICDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775718819 1049660260 /nfs/dbraw/zinc/66/02/60/1049660260.db2.gz PYOPQWJDYIMSIG-DYVFJYSZSA-N 0 1 317.816 4.008 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775718819 1049660264 /nfs/dbraw/zinc/66/02/64/1049660264.db2.gz PYOPQWJDYIMSIG-DYVFJYSZSA-N 0 1 317.816 4.008 20 10 DICDMN C[C@@H](CCc1ccccc1F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001206517103 1049675082 /nfs/dbraw/zinc/67/50/82/1049675082.db2.gz LXQQLIPTNVWMFQ-LBPRGKRZSA-N 0 1 307.796 4.296 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cc(Cl)ccc1[O-] ZINC000774492234 1049675105 /nfs/dbraw/zinc/67/51/05/1049675105.db2.gz QDOVNCPJKLMTOS-FUHWJXTLSA-N 0 1 319.832 4.128 20 10 DICDMN CCc1ccc([C@H](COC)N[C@H](CC)c2ccc(C)cc2O)o1 ZINC000794802433 1049699155 /nfs/dbraw/zinc/69/91/55/1049699155.db2.gz ODMMYMWUDRXMHT-SJORKVTESA-N 0 1 317.429 4.284 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC001206429890 1049734370 /nfs/dbraw/zinc/73/43/70/1049734370.db2.gz LZTCCDPJLXTTGQ-HOCLYGCPSA-N 0 1 301.817 4.247 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc2c(cccc2O)s1 ZINC001206516809 1049748238 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20 10 DICDMN COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1F ZINC000825063416 1050270764 /nfs/dbraw/zinc/27/07/64/1050270764.db2.gz DAGUNISMLDIEKP-LLVKDONJSA-N 0 1 323.795 4.353 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000734476041 1050276850 /nfs/dbraw/zinc/27/68/50/1050276850.db2.gz BRVSOVLRPJSWPO-CRAIPNDOSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000734476041 1050276858 /nfs/dbraw/zinc/27/68/58/1050276858.db2.gz BRVSOVLRPJSWPO-CRAIPNDOSA-N 0 1 318.420 4.318 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCOc3ccccc32)cc1Cl ZINC000825191121 1050286225 /nfs/dbraw/zinc/28/62/25/1050286225.db2.gz WTAXTLISDPMAGX-INIZCTEOSA-N 0 1 317.816 4.358 20 10 DICDMN CCOCCC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825366125 1050297782 /nfs/dbraw/zinc/29/77/82/1050297782.db2.gz SVFWUKOERYSRPA-UHFFFAOYSA-N 0 1 311.853 4.041 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1c(C)noc1C ZINC000825385077 1050302204 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COc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccc1SC ZINC000846058702 1050649680 /nfs/dbraw/zinc/64/96/80/1050649680.db2.gz RVTABSAWRYOTIL-UHFFFAOYSA-N 0 1 323.845 4.066 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)ccc2ccccc21 ZINC000846104489 1050670015 /nfs/dbraw/zinc/67/00/15/1050670015.db2.gz IEJLVRDSWNGTNF-KRWDZBQOSA-N 0 1 303.352 4.167 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc2ccccc21 ZINC000846104489 1050670021 /nfs/dbraw/zinc/67/00/21/1050670021.db2.gz IEJLVRDSWNGTNF-KRWDZBQOSA-N 0 1 303.352 4.167 20 10 DICDMN Cc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000227438345 1050673354 /nfs/dbraw/zinc/67/33/54/1050673354.db2.gz XOXKAOPBDKLUDS-GFCCVEGCSA-N 0 1 320.230 4.314 20 10 DICDMN C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cc(Cl)ccc1[O-] ZINC000846185837 1050688796 /nfs/dbraw/zinc/68/87/96/1050688796.db2.gz SWQQVHGCORVARR-HERUPUMHSA-N 0 1 306.208 4.401 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2cn3ccccc3n2)cc1 ZINC000788546839 1050701886 /nfs/dbraw/zinc/70/18/86/1050701886.db2.gz MBGZRMYOWJBZAV-INIZCTEOSA-N 0 1 322.456 4.031 20 10 DICDMN COc1cc(Cl)cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)c1O ZINC000761202381 1050778121 /nfs/dbraw/zinc/77/81/21/1050778121.db2.gz DOFPPIFGJRACQC-SJKOYZFVSA-N 0 1 317.816 4.247 20 10 DICDMN COc1c2ccccc2oc1CN[C@H](C)c1cc(F)ccc1O ZINC000788978898 1050778120 /nfs/dbraw/zinc/77/81/20/1050778120.db2.gz BBWKCYIEJLZLLQ-LLVKDONJSA-N 0 1 315.344 4.137 20 10 DICDMN CCc1cnc(CNCc2cc(-c3ccccc3)ccc2O)s1 ZINC000742384545 1050827671 /nfs/dbraw/zinc/82/76/71/1050827671.db2.gz HOKJDBSWRUFXEI-UHFFFAOYSA-N 0 1 324.449 4.368 20 10 DICDMN Cc1cnc(NCc2cc3ccccc3cc2O)c2[nH]ccc21 ZINC001171402276 1051091179 /nfs/dbraw/zinc/09/11/79/1051091179.db2.gz KUGDXZQJFSTBAH-UHFFFAOYSA-N 0 1 303.365 4.342 20 10 DICDMN Cn1ccc2c1nccc2NCc1cc2ccccc2cc1O ZINC001171407672 1051095450 /nfs/dbraw/zinc/09/54/50/1051095450.db2.gz SNZNHSBUFGIUBH-UHFFFAOYSA-N 0 1 303.365 4.044 20 10 DICDMN COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000036961232 1051102982 /nfs/dbraw/zinc/10/29/82/1051102982.db2.gz KRAIKGONHVGVDJ-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037142053 1051114094 /nfs/dbraw/zinc/11/40/94/1051114094.db2.gz GPWTYVPGBBZKIX-PWSUYJOCSA-N 0 1 307.743 4.256 20 10 DICDMN CCOc1cccc(CN2CCc3cc(Cl)ccc3C2)c1O ZINC000792178312 1051123220 /nfs/dbraw/zinc/12/32/20/1051123220.db2.gz BMNAABYNZNKHGC-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN Cc1cccc(Br)c1CN(C)Cc1ccccc1O ZINC001248618611 1051137876 /nfs/dbraw/zinc/13/78/76/1051137876.db2.gz AITCCTLDKYHDLR-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN CSc1ccc(F)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000744447826 1051179058 /nfs/dbraw/zinc/17/90/58/1051179058.db2.gz CLBAZOSNNLCJLK-UHFFFAOYSA-N 0 1 311.809 4.196 20 10 DICDMN Cc1cccc(CNc2ccc(CN(C)C)c(Cl)c2)c1O ZINC000793344342 1051280436 /nfs/dbraw/zinc/28/04/36/1051280436.db2.gz QTZPZNMXAJFAPN-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccsc1 ZINC000806345256 1051312720 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CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135033 1051736028 /nfs/dbraw/zinc/73/60/28/1051736028.db2.gz FFFHEGDSWHGFGD-IINYFYTJSA-N 0 1 319.276 4.080 20 10 DICDMN C[C@H]1c2cccn2CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000768161422 1051889942 /nfs/dbraw/zinc/88/99/42/1051889942.db2.gz MKDPYYFKKICQMJ-KRWDZBQOSA-N 0 1 309.457 4.055 20 10 DICDMN C[N@H+](Cc1ccc(Cl)s1)Cc1cc(Cl)ccc1[O-] ZINC000768194029 1051902030 /nfs/dbraw/zinc/90/20/30/1051902030.db2.gz YCFDAQHJINTOGA-UHFFFAOYSA-N 0 1 302.226 4.393 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)s1)Cc1cc(Cl)ccc1[O-] ZINC000768194029 1051902039 /nfs/dbraw/zinc/90/20/39/1051902039.db2.gz YCFDAQHJINTOGA-UHFFFAOYSA-N 0 1 302.226 4.393 20 10 DICDMN C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000768197544 1051904809 /nfs/dbraw/zinc/90/48/09/1051904809.db2.gz JVCJJSVBFNICFK-LBPRGKRZSA-N 0 1 320.230 4.348 20 10 DICDMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000768197544 1051904820 /nfs/dbraw/zinc/90/48/20/1051904820.db2.gz JVCJJSVBFNICFK-LBPRGKRZSA-N 0 1 320.230 4.348 20 10 DICDMN Oc1cc(-c2nc(-c3cccc(Cl)c3)no2)cc(Cl)c1O ZINC001216977945 1051923706 /nfs/dbraw/zinc/92/37/06/1051923706.db2.gz MXAJNDNAICYHAY-UHFFFAOYSA-N 0 1 323.135 4.122 20 10 DICDMN Cc1ccc(O)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000768425374 1051928747 /nfs/dbraw/zinc/92/87/47/1051928747.db2.gz WMPJLRMSQHBKQQ-OAQYLSRUSA-N 0 1 318.420 4.107 20 10 DICDMN CCC(C)(CC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840416 1051935554 /nfs/dbraw/zinc/93/55/54/1051935554.db2.gz BUZLSCJIPKQQRI-UHFFFAOYSA-N 0 1 304.217 4.142 20 10 DICDMN C[C@@H]1CC[C@@H](CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807837135 1051936763 /nfs/dbraw/zinc/93/67/63/1051936763.db2.gz CHMOTEXGQLYVPE-NXEZZACHSA-N 0 1 316.228 4.142 20 10 DICDMN Cc1ccc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807834376 1051936898 /nfs/dbraw/zinc/93/68/98/1051936898.db2.gz LPKFHFMWRONYKO-UHFFFAOYSA-N 0 1 324.207 4.246 20 10 DICDMN CCC/C(C)=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839489 1051937323 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[O-]c1ccc(Cl)cc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000769425102 1052043938 /nfs/dbraw/zinc/04/39/38/1052043938.db2.gz CUCBTFWZAWGZFE-QGZVFWFLSA-N 0 1 319.857 4.336 20 10 DICDMN COc1cccc(O)c1CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000769428702 1052048261 /nfs/dbraw/zinc/04/82/61/1052048261.db2.gz REMYOSHEKOATQU-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000769447649 1052054908 /nfs/dbraw/zinc/05/49/08/1052054908.db2.gz IQNVJVXCGPYIOT-UHFFFAOYSA-N 0 1 306.258 4.026 20 10 DICDMN COc1cccc(O)c1C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000769456062 1052058938 /nfs/dbraw/zinc/05/89/38/1052058938.db2.gz GSWALPYGDLYVNY-DYVFJYSZSA-N 0 1 315.388 4.123 20 10 DICDMN CC(C)OCCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000769463032 1052060196 /nfs/dbraw/zinc/06/01/96/1052060196.db2.gz LMRVWCFZDLGFHG-UHFFFAOYSA-N 0 1 313.441 4.306 20 10 DICDMN CCC[N@H+](Cc1c([O-])cccc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769469719 1052064135 /nfs/dbraw/zinc/06/41/35/1052064135.db2.gz DDBJILIKSXJJPM-JCURWCKSSA-N 0 1 323.864 4.071 20 10 DICDMN CCC[N@@H+](Cc1c([O-])cccc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769469719 1052064142 /nfs/dbraw/zinc/06/41/42/1052064142.db2.gz DDBJILIKSXJJPM-JCURWCKSSA-N 0 1 323.864 4.071 20 10 DICDMN CCOc1cccc(CN2CC[C@@H]2c2ccc(Cl)cc2)c1O ZINC000769500418 1052069504 /nfs/dbraw/zinc/06/95/04/1052069504.db2.gz ZLBJVOUQTARION-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769560538 1052083573 /nfs/dbraw/zinc/08/35/73/1052083573.db2.gz VQOPMMKTRORAJH-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN CC[N@@H+](CCc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000917469509 1052730525 /nfs/dbraw/zinc/73/05/25/1052730525.db2.gz VGTCQMQAGRYBII-UHFFFAOYSA-N 0 1 306.409 4.005 20 10 DICDMN CC[N@H+](CCc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000917469509 1052730527 /nfs/dbraw/zinc/73/05/27/1052730527.db2.gz VGTCQMQAGRYBII-UHFFFAOYSA-N 0 1 306.409 4.005 20 10 DICDMN CC[N@@H+](CCc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000917469509 1052730530 /nfs/dbraw/zinc/73/05/30/1052730530.db2.gz VGTCQMQAGRYBII-UHFFFAOYSA-N 0 1 306.409 4.005 20 10 DICDMN CCO[C@@H](C)COC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227491998 1052996137 /nfs/dbraw/zinc/99/61/37/1052996137.db2.gz LWLNNYZBBDCMNA-RUWSDDDDSA-N 0 1 301.346 4.006 20 10 DICDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000237668773 1053018539 /nfs/dbraw/zinc/01/85/39/1053018539.db2.gz OIUYJSHVWHPCEU-KBXCAEBGSA-N 0 1 310.441 4.075 20 10 DICDMN COc1cc(C)c(C[N@H+]2CCCC3(CCCC3)CC2)c(O)c1 ZINC001474626495 1053067754 /nfs/dbraw/zinc/06/77/54/1053067754.db2.gz MYEZTGBRMFCUHW-UHFFFAOYSA-N 0 1 303.446 4.256 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(Cl)c1F ZINC001319952185 1053288928 /nfs/dbraw/zinc/28/89/28/1053288928.db2.gz YXGJBMOGUXRWJU-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN Oc1cccc(Cl)c1CNCc1cccc(Cl)c1F ZINC001319952185 1053288934 /nfs/dbraw/zinc/28/89/34/1053288934.db2.gz YXGJBMOGUXRWJU-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)c1c(F)cncc1F ZINC001322453019 1053507068 /nfs/dbraw/zinc/50/70/68/1053507068.db2.gz USQPVSRMPNGRCW-GYSYKLTISA-N 0 1 318.367 4.273 20 10 DICDMN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1nc(C(C)(C)C)cs1 ZINC001324543385 1053661649 /nfs/dbraw/zinc/66/16/49/1053661649.db2.gz SVGIMROBCSKFHV-WCQYABFASA-N 0 1 316.470 4.484 20 10 DICDMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1O)[C@@H](C)c1ccccc1 ZINC001231452594 1053753709 /nfs/dbraw/zinc/75/37/09/1053753709.db2.gz DOBHEESQUMNACM-AWEZNQCLSA-N 0 1 313.397 4.062 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCC1(F)F ZINC001237616276 1053783120 /nfs/dbraw/zinc/78/31/20/1053783120.db2.gz AHQPGFHRJHJWQR-VIFPVBQESA-N 0 1 307.743 4.052 20 10 DICDMN CC[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cc(Cl)ccc1[O-] ZINC001327227827 1053843572 /nfs/dbraw/zinc/84/35/72/1053843572.db2.gz KCXZWYIFXMVIBL-KSGYAGIASA-N 0 1 301.764 4.274 20 10 DICDMN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)c([O-])c1 ZINC001231735657 1053844962 /nfs/dbraw/zinc/84/49/62/1053844962.db2.gz SKZMGGFTOJEATA-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)c([O-])c1 ZINC001231735657 1053844978 /nfs/dbraw/zinc/84/49/78/1053844978.db2.gz SKZMGGFTOJEATA-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc2ccccc2c1[O-] ZINC000273392976 1053847115 /nfs/dbraw/zinc/84/71/15/1053847115.db2.gz LBXAQLVTQVPMDY-SCLBCKFNSA-N 0 1 321.424 4.007 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc2ccccc2c1[O-] ZINC000273392965 1053847882 /nfs/dbraw/zinc/84/78/82/1053847882.db2.gz LBXAQLVTQVPMDY-ACJLOTCBSA-N 0 1 321.424 4.007 20 10 DICDMN CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC001327534004 1053862467 /nfs/dbraw/zinc/86/24/67/1053862467.db2.gz VHDXCCMCJNPPIM-OBJOEFQTSA-N 0 1 317.351 4.019 20 10 DICDMN COc1cccc2c1CN(Cc1ccc3ccccc3c1O)C2 ZINC001231884054 1053905999 /nfs/dbraw/zinc/90/59/99/1053905999.db2.gz XFDZIRHPSFBQHO-UHFFFAOYSA-N 0 1 305.377 4.070 20 10 DICDMN COc1cccc(CC[N@@H+](C)Cc2ccc3ccccc3c2O)c1 ZINC001231881346 1053906495 /nfs/dbraw/zinc/90/64/95/1053906495.db2.gz VSUIKOAXIAVOOV-UHFFFAOYSA-N 0 1 321.420 4.229 20 10 DICDMN COc1cccc(CC[N@H+](C)Cc2ccc3ccccc3c2[O-])c1 ZINC001231881346 1053906506 /nfs/dbraw/zinc/90/65/06/1053906506.db2.gz VSUIKOAXIAVOOV-UHFFFAOYSA-N 0 1 321.420 4.229 20 10 DICDMN COc1cccc(CC[N@@H+](C)Cc2ccc3ccccc3c2[O-])c1 ZINC001231881346 1053906519 /nfs/dbraw/zinc/90/65/19/1053906519.db2.gz VSUIKOAXIAVOOV-UHFFFAOYSA-N 0 1 321.420 4.229 20 10 DICDMN COc1cccc(CCC[N@@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC001231912466 1053916283 /nfs/dbraw/zinc/91/62/83/1053916283.db2.gz HQSUYAGYZDESOE-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1Cl ZINC001232265220 1054006949 /nfs/dbraw/zinc/00/69/49/1054006949.db2.gz RHMCAZQCNYSLLC-CYBMUJFWSA-N 0 1 323.845 4.453 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2cccs2)cc1Cl ZINC001232265220 1054006956 /nfs/dbraw/zinc/00/69/56/1054006956.db2.gz RHMCAZQCNYSLLC-CYBMUJFWSA-N 0 1 323.845 4.453 20 10 DICDMN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269081 1054009719 /nfs/dbraw/zinc/00/97/19/1054009719.db2.gz QNVOOGHTGPKJNK-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269081 1054009723 /nfs/dbraw/zinc/00/97/23/1054009723.db2.gz QNVOOGHTGPKJNK-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN COc1cc(O)c(CN2CC[C@@H]2c2ccccc2)cc1Cl ZINC001232269919 1054010003 /nfs/dbraw/zinc/01/00/03/1054010003.db2.gz NNVARGNOBHNLLC-OAHLLOKOSA-N 0 1 303.789 4.001 20 10 DICDMN Cc1ncsc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000296427264 1054088073 /nfs/dbraw/zinc/08/80/73/1054088073.db2.gz LRYCJCUBBWOITO-GFCCVEGCSA-N 0 1 312.438 4.204 20 10 DICDMN COc1c(C)cccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000848561195 1054151647 /nfs/dbraw/zinc/15/16/47/1054151647.db2.gz WFRRABXZQMULMO-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN C[C@@H]1C[C@H](NCc2noc3ccccc32)c2c1c(F)ccc2O ZINC000848574208 1054157387 /nfs/dbraw/zinc/15/73/87/1054157387.db2.gz BYNHTOZWUOVBHZ-MFKMUULPSA-N 0 1 312.344 4.011 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccccc2F)ccc(F)c1F ZINC001233077471 1054182762 /nfs/dbraw/zinc/18/27/62/1054182762.db2.gz POZBLGMZHMTYHO-OAHLLOKOSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H](c3ccccc3)CC2)ccc(F)c1F ZINC001233078400 1054183029 /nfs/dbraw/zinc/18/30/29/1054183029.db2.gz UUJQTHJZWKJDTH-HNNXBMFYSA-N 0 1 317.379 4.440 20 10 DICDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001233078362 1054183766 /nfs/dbraw/zinc/18/37/66/1054183766.db2.gz SJGSTLINCRZILF-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN COc1cccc(F)c1CN[C@@H](C)c1cc(Cl)ccc1O ZINC001334734288 1054197732 /nfs/dbraw/zinc/19/77/32/1054197732.db2.gz VUEQKGREJPQYSB-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN COc1cccc(F)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC001334734288 1054197739 /nfs/dbraw/zinc/19/77/39/1054197739.db2.gz VUEQKGREJPQYSB-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN COc1cc(Cl)cc(CN2Cc3ccccc3[C@H](C)C2)c1O ZINC001233287587 1054226485 /nfs/dbraw/zinc/22/64/85/1054226485.db2.gz YIUPQBXWFWBTTH-GFCCVEGCSA-N 0 1 317.816 4.174 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2cccnc2)cccc1C(F)(F)F ZINC001233416120 1054265266 /nfs/dbraw/zinc/26/52/66/1054265266.db2.gz WSAAAQUKOZGRLS-OAHLLOKOSA-N 0 1 322.330 4.143 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001233454791 1054276510 /nfs/dbraw/zinc/27/65/10/1054276510.db2.gz KGQSQIGEILSWOL-OAHLLOKOSA-N 0 1 307.315 4.358 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001233454791 1054276524 /nfs/dbraw/zinc/27/65/24/1054276524.db2.gz KGQSQIGEILSWOL-OAHLLOKOSA-N 0 1 307.315 4.358 20 10 DICDMN C[N@H+](Cc1cccs1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454066 1054276677 /nfs/dbraw/zinc/27/66/77/1054276677.db2.gz FSNMLVWKWBXZRD-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN C[N@@H+](Cc1cccs1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454066 1054276693 /nfs/dbraw/zinc/27/66/93/1054276693.db2.gz FSNMLVWKWBXZRD-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN C[N@H+](Cc1ccsc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454171 1054277474 /nfs/dbraw/zinc/27/74/74/1054277474.db2.gz JIXSQTVWXZOUTD-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN C[N@@H+](Cc1ccsc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454171 1054277484 /nfs/dbraw/zinc/27/74/84/1054277484.db2.gz JIXSQTVWXZOUTD-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN COc1cccc(F)c1CN[C@H](C)c1ccc(C)c(C)c1O ZINC001337821435 1054288069 /nfs/dbraw/zinc/28/80/69/1054288069.db2.gz NKUQCQYCDKCKTA-CYBMUJFWSA-N 0 1 303.377 4.008 20 10 DICDMN CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CCCCC1 ZINC001233728160 1054345603 /nfs/dbraw/zinc/34/56/03/1054345603.db2.gz UASSCNHNBRUNIP-UHFFFAOYSA-N 0 1 317.351 4.445 20 10 DICDMN CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CCCCC1 ZINC001233728160 1054345614 /nfs/dbraw/zinc/34/56/14/1054345614.db2.gz UASSCNHNBRUNIP-UHFFFAOYSA-N 0 1 317.351 4.445 20 10 DICDMN CCC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233754803 1054350484 /nfs/dbraw/zinc/35/04/84/1054350484.db2.gz LQIYSRKZUDJPFJ-CYBMUJFWSA-N 0 1 317.351 4.445 20 10 DICDMN CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754803 1054350493 /nfs/dbraw/zinc/35/04/93/1054350493.db2.gz LQIYSRKZUDJPFJ-CYBMUJFWSA-N 0 1 317.351 4.445 20 10 DICDMN CCC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754803 1054350508 /nfs/dbraw/zinc/35/05/08/1054350508.db2.gz LQIYSRKZUDJPFJ-CYBMUJFWSA-N 0 1 317.351 4.445 20 10 DICDMN CCC(CC)[N@@H+](CC)Cc1cccc(OC(F)(F)F)c1O ZINC001233767903 1054355530 /nfs/dbraw/zinc/35/55/30/1054355530.db2.gz HZBHLHSKUGWGFF-UHFFFAOYSA-N 0 1 305.340 4.301 20 10 DICDMN CCC(CC)[N@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767903 1054355541 /nfs/dbraw/zinc/35/55/41/1054355541.db2.gz HZBHLHSKUGWGFF-UHFFFAOYSA-N 0 1 305.340 4.301 20 10 DICDMN CCC(CC)[N@@H+](CC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233767903 1054355558 /nfs/dbraw/zinc/35/55/58/1054355558.db2.gz HZBHLHSKUGWGFF-UHFFFAOYSA-N 0 1 305.340 4.301 20 10 DICDMN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185098984 1054366081 /nfs/dbraw/zinc/36/60/81/1054366081.db2.gz JIUBVHDXXLGHSI-FOIQADDNSA-N 0 1 321.420 4.238 20 10 DICDMN Cc1ccc([C@H](C)N[C@@H](COCC(C)C)c2ccco2)c(O)c1 ZINC000185289210 1054515191 /nfs/dbraw/zinc/51/51/91/1054515191.db2.gz LASKVNRDXRKQQN-RDJZCZTQSA-N 0 1 317.429 4.358 20 10 DICDMN CC(C)Cn1ccnc1CN[C@H](C)c1ccc2ccccc2c1O ZINC000185545989 1054573951 /nfs/dbraw/zinc/57/39/51/1054573951.db2.gz ZWWXTUFGFBBAFJ-OAHLLOKOSA-N 0 1 323.440 4.249 20 10 DICDMN Cc1ccc(O)c([C@@H](C)NCc2coc(-c3ccccc3)n2)c1 ZINC000185571228 1054582020 /nfs/dbraw/zinc/58/20/20/1054582020.db2.gz YSDDGTQUGZZDIS-CQSZACIVSA-N 0 1 308.381 4.206 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000185566894 1054582410 /nfs/dbraw/zinc/58/24/10/1054582410.db2.gz IONOFHRGRCSGPR-OLZOCXBDSA-N 0 1 303.377 4.260 20 10 DICDMN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185615101 1054596162 /nfs/dbraw/zinc/59/61/62/1054596162.db2.gz 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CCOc1ccccc1CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001560322642 1060109389 /nfs/dbraw/zinc/10/93/89/1060109389.db2.gz NPAFRLVPIOFJOD-UHFFFAOYSA-N 0 1 319.832 4.085 20 10 DICDMN Cc1nc(CNCc2ccc(N3CCCCC3)cc2)sc1C ZINC001560353925 1060139951 /nfs/dbraw/zinc/13/99/51/1060139951.db2.gz AITLNBZREYXIGU-UHFFFAOYSA-N 0 1 315.486 4.040 20 10 DICDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1C ZINC001560357066 1060141991 /nfs/dbraw/zinc/14/19/91/1060141991.db2.gz DNKQOBYKCJBTBY-AWEZNQCLSA-N 0 1 319.832 4.301 20 10 DICDMN CCCN(CCC)c1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC001560380352 1060167560 /nfs/dbraw/zinc/16/75/60/1060167560.db2.gz CFNUUKLKBIRBMY-UHFFFAOYSA-N 0 1 323.444 4.196 20 10 DICDMN C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)CC1CCCC1 ZINC001249252878 1060205147 /nfs/dbraw/zinc/20/51/47/1060205147.db2.gz ZAYSPJWNMNYWMO-UHFFFAOYSA-N 0 1 301.430 4.198 20 10 DICDMN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC1CCCC1 ZINC001249252878 1060205165 /nfs/dbraw/zinc/20/51/65/1060205165.db2.gz ZAYSPJWNMNYWMO-UHFFFAOYSA-N 0 1 301.430 4.198 20 10 DICDMN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC1CCCC1 ZINC001249252878 1060205188 /nfs/dbraw/zinc/20/51/88/1060205188.db2.gz ZAYSPJWNMNYWMO-UHFFFAOYSA-N 0 1 301.430 4.198 20 10 DICDMN CS[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(C)(C)C ZINC001560437313 1060227128 /nfs/dbraw/zinc/22/71/28/1060227128.db2.gz LEQRQBNHZZPLFJ-CQSZACIVSA-N 0 1 301.883 4.221 20 10 DICDMN c1cc(NCc2ccc(N3CCCCC3)cc2)nc2c1CCC2 ZINC001560476224 1060266228 /nfs/dbraw/zinc/26/62/28/1060266228.db2.gz CGHWXBRJTUTJPF-UHFFFAOYSA-N 0 1 307.441 4.173 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC001560626929 1060436956 /nfs/dbraw/zinc/43/69/56/1060436956.db2.gz HQZYWHVOGAGMSF-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCc3ccccc3[C@@H]2C)cc1Cl ZINC001560628680 1060441018 /nfs/dbraw/zinc/44/10/18/1060441018.db2.gz YUFKDVUJOQCSAG-ZDUSSCGKSA-N 0 1 301.817 4.473 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCc3ccccc3[C@@H]2C)cc1Cl ZINC001560628680 1060441028 /nfs/dbraw/zinc/44/10/28/1060441028.db2.gz YUFKDVUJOQCSAG-ZDUSSCGKSA-N 0 1 301.817 4.473 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001560660112 1060484218 /nfs/dbraw/zinc/48/42/18/1060484218.db2.gz DPXYYJSMDLNCCZ-MRXNPFEDSA-N 0 1 317.379 4.268 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC001560658922 1060484356 /nfs/dbraw/zinc/48/43/56/1060484356.db2.gz QRQLLYZJRMXUMK-OAHLLOKOSA-N 0 1 319.807 4.392 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC001560660341 1060484616 /nfs/dbraw/zinc/48/46/16/1060484616.db2.gz MBBJJLVHQAGWOY-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(F)c(F)cc2[O-])c(C)c1 ZINC001560681905 1060522980 /nfs/dbraw/zinc/52/29/80/1060522980.db2.gz XNMKEEUVDLHUQU-CYBMUJFWSA-N 0 1 305.368 4.480 20 10 DICDMN CCC[N@H+](Cc1ccccc1[O-])CC1(CCCOC)CCC1 ZINC001560685451 1060531997 /nfs/dbraw/zinc/53/19/97/1060531997.db2.gz BYGJBZNOXFOUHO-UHFFFAOYSA-N 0 1 305.462 4.201 20 10 DICDMN CCC[N@@H+](Cc1ccccc1[O-])CC1(CCCOC)CCC1 ZINC001560685451 1060532015 /nfs/dbraw/zinc/53/20/15/1060532015.db2.gz BYGJBZNOXFOUHO-UHFFFAOYSA-N 0 1 305.462 4.201 20 10 DICDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)c1cccc(O)c1 ZINC001560692835 1060541404 /nfs/dbraw/zinc/54/14/04/1060541404.db2.gz PMLDWUJLZIBXAE-GFCCVEGCSA-N 0 1 305.805 4.334 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)c1cccc(O)c1 ZINC001560692835 1060541419 /nfs/dbraw/zinc/54/14/19/1060541419.db2.gz PMLDWUJLZIBXAE-GFCCVEGCSA-N 0 1 305.805 4.334 20 10 DICDMN CC(C)CN(Cc1cc(Cl)c(F)cc1O)CC(F)(F)F ZINC001560693898 1060547480 /nfs/dbraw/zinc/54/74/80/1060547480.db2.gz JTEGJFOSQOZCMQ-UHFFFAOYSA-N 0 1 313.722 4.205 20 10 DICDMN C[N@H+](CCCOc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC001560697805 1060552710 /nfs/dbraw/zinc/55/27/10/1060552710.db2.gz PCARNJOVWQLSRN-UHFFFAOYSA-N 0 1 321.420 4.446 20 10 DICDMN C[N@@H+](CCCOc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC001560697805 1060552724 /nfs/dbraw/zinc/55/27/24/1060552724.db2.gz PCARNJOVWQLSRN-UHFFFAOYSA-N 0 1 321.420 4.446 20 10 DICDMN CCOc1ccc(C[N@@H+](C)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC001560724742 1060588819 /nfs/dbraw/zinc/58/88/19/1060588819.db2.gz UIFQHNUTGKFZHU-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001560734159 1060603049 /nfs/dbraw/zinc/60/30/49/1060603049.db2.gz HVSSYVOXNSLSCS-MRXNPFEDSA-N 0 1 301.817 4.383 20 10 DICDMN CCCCC[N@@H+](CCCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC001560749664 1060616712 /nfs/dbraw/zinc/61/67/12/1060616712.db2.gz KCQMWQBDMOVZEV-UHFFFAOYSA-N 0 1 317.832 4.213 20 10 DICDMN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001560789225 1060649244 /nfs/dbraw/zinc/64/92/44/1060649244.db2.gz QYELCDHKDBOLPB-KRWDZBQOSA-N 0 1 311.853 4.135 20 10 DICDMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001560789225 1060649255 /nfs/dbraw/zinc/64/92/55/1060649255.db2.gz QYELCDHKDBOLPB-KRWDZBQOSA-N 0 1 311.853 4.135 20 10 DICDMN CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001560789226 1060649457 /nfs/dbraw/zinc/64/94/57/1060649457.db2.gz QYELCDHKDBOLPB-QGZVFWFLSA-N 0 1 311.853 4.135 20 10 DICDMN CCC[C@]1(COC)CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001560789226 1060649460 /nfs/dbraw/zinc/64/94/60/1060649460.db2.gz QYELCDHKDBOLPB-QGZVFWFLSA-N 0 1 311.853 4.135 20 10 DICDMN Cc1cc(O)c(CN[C@H]2C[C@@]2(F)c2ccccc2)cc1Cl ZINC001560897938 1060760190 /nfs/dbraw/zinc/76/01/90/1060760190.db2.gz RSLONDWBHLFPSA-DLBZAZTESA-N 0 1 305.780 4.081 20 10 DICDMN CN(C)c1ccc(-c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1 ZINC001250468568 1060827552 /nfs/dbraw/zinc/82/75/52/1060827552.db2.gz DQBYMQUAYAHSME-UHFFFAOYSA-N 0 1 314.392 4.358 20 10 DICDMN Cc1c(Cl)ccc2c1C[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC001560977756 1060843133 /nfs/dbraw/zinc/84/31/33/1060843133.db2.gz GWBQQMUEQXYQGK-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN CC1=C(Br)C[N@@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001462152469 1060974299 /nfs/dbraw/zinc/97/42/99/1060974299.db2.gz BAWOYCLWIYMMCI-UHFFFAOYSA-N 0 1 324.262 4.390 20 10 DICDMN CC1=C(Br)CN(Cc2cc(C(C)C)ccc2O)CC1 ZINC001462152469 1060974325 /nfs/dbraw/zinc/97/43/25/1060974325.db2.gz BAWOYCLWIYMMCI-UHFFFAOYSA-N 0 1 324.262 4.390 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001462186238 1061008855 /nfs/dbraw/zinc/00/88/55/1061008855.db2.gz ZQVZPUIJHFSVDC-MRXNPFEDSA-N 0 1 305.780 4.352 20 10 DICDMN Cc1cc(CN(C)Cc2cc(F)c(F)c(F)c2)ccc1N(C)C ZINC001473308223 1061072715 /nfs/dbraw/zinc/07/27/15/1061072715.db2.gz RJBYDFSWFIXYKL-UHFFFAOYSA-N 0 1 322.374 4.110 20 10 DICDMN CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001462300151 1061089754 /nfs/dbraw/zinc/08/97/54/1061089754.db2.gz XZBABYIVEQJJBZ-OAHLLOKOSA-N 0 1 321.367 4.262 20 10 DICDMN C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001462355450 1061125487 /nfs/dbraw/zinc/12/54/87/1061125487.db2.gz MXTPNQHFMSJUOT-IBGZPJMESA-N 0 1 317.379 4.268 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001462515569 1061225186 /nfs/dbraw/zinc/22/51/86/1061225186.db2.gz IHLGSTVBAZUSMA-SFHVURJKSA-N 0 1 321.342 4.131 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCOc2cccc(F)c2)cc1Cl ZINC001462643308 1061315613 /nfs/dbraw/zinc/31/56/13/1061315613.db2.gz VGTXHVAPVCSBRD-UHFFFAOYSA-N 0 1 323.795 4.052 20 10 DICDMN CCc1ccc2c(c1)CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C2 ZINC001462672750 1061332196 /nfs/dbraw/zinc/33/21/96/1061332196.db2.gz VRKWJIBELKZGHK-UHFFFAOYSA-N 0 1 315.844 4.475 20 10 DICDMN CCc1ccc2c(c1)CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C2 ZINC001462672750 1061332216 /nfs/dbraw/zinc/33/22/16/1061332216.db2.gz VRKWJIBELKZGHK-UHFFFAOYSA-N 0 1 315.844 4.475 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)c2ccc(F)cc2)c(Cl)c1 ZINC001473988500 1061532072 /nfs/dbraw/zinc/53/20/72/1061532072.db2.gz NFTKNDRXLCASQC-LBPRGKRZSA-N 0 1 307.796 4.386 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c(Cl)c1 ZINC001474040083 1061586506 /nfs/dbraw/zinc/58/65/06/1061586506.db2.gz QIPAWXGHVBUJRE-OAHLLOKOSA-N 0 1 318.848 4.278 20 10 DICDMN CCCOc1ccc(CN[C@@H]2COCc3ccccc32)cc1C ZINC001474184109 1061733193 /nfs/dbraw/zinc/73/31/93/1061733193.db2.gz PHJWEMOVWYALTD-LJQANCHMSA-N 0 1 311.425 4.145 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC001474266902 1061833736 /nfs/dbraw/zinc/83/37/36/1061833736.db2.gz BDHNRZZAASODDQ-YHWZYXNKSA-N 0 1 311.878 4.118 20 10 DICDMN C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(Cl)cc1[O-] ZINC001474352117 1061963536 /nfs/dbraw/zinc/96/35/36/1061963536.db2.gz UFEFBNAYLHLZGC-UHFFFAOYSA-N 0 1 300.789 4.159 20 10 DICDMN C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(Cl)cc1[O-] ZINC001474352117 1061963551 /nfs/dbraw/zinc/96/35/51/1061963551.db2.gz UFEFBNAYLHLZGC-UHFFFAOYSA-N 0 1 300.789 4.159 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001474354203 1061966174 /nfs/dbraw/zinc/96/61/74/1061966174.db2.gz MHVUCLFKIRMVND-PXNSSMCTSA-N 0 1 311.400 4.433 20 10 DICDMN Cc1cccc(OCC[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])c1 ZINC001474361706 1061984945 /nfs/dbraw/zinc/98/49/45/1061984945.db2.gz ALYWHYQLNWSIRQ-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN Cc1cccc(OCC[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])c1 ZINC001474361706 1061984964 /nfs/dbraw/zinc/98/49/64/1061984964.db2.gz ALYWHYQLNWSIRQ-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN CC(C)[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001474365414 1061994979 /nfs/dbraw/zinc/99/49/79/1061994979.db2.gz FSHXJGJRPJQFSD-UHFFFAOYSA-N 0 1 318.642 4.181 20 10 DICDMN CC(C)[N@H+](Cc1ccco1)Cc1ccc(Br)cc1[O-] ZINC001474402201 1062057455 /nfs/dbraw/zinc/05/74/55/1062057455.db2.gz NPBVIDQFVRQMIH-UHFFFAOYSA-N 0 1 324.218 4.158 20 10 DICDMN CC(C)[N@@H+](Cc1ccco1)Cc1ccc(Br)cc1[O-] ZINC001474402201 1062057477 /nfs/dbraw/zinc/05/74/77/1062057477.db2.gz NPBVIDQFVRQMIH-UHFFFAOYSA-N 0 1 324.218 4.158 20 10 DICDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC(C)C1 ZINC001459581920 1062225130 /nfs/dbraw/zinc/22/51/30/1062225130.db2.gz WZWUFOQPIHUBBM-UHFFFAOYSA-N 0 1 312.251 4.023 20 10 DICDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CC(C)C1 ZINC001459581920 1062225152 /nfs/dbraw/zinc/22/51/52/1062225152.db2.gz WZWUFOQPIHUBBM-UHFFFAOYSA-N 0 1 312.251 4.023 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474544404 1062239352 /nfs/dbraw/zinc/23/93/52/1062239352.db2.gz GOSBLXJFHGJQNX-PBFPGSCMSA-N 0 1 317.379 4.437 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC001474552303 1062250161 /nfs/dbraw/zinc/25/01/61/1062250161.db2.gz FSYPXZBGWZLTFD-GOSISDBHSA-N 0 1 315.363 4.398 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H]1CC1(C)C ZINC001474587266 1062296383 /nfs/dbraw/zinc/29/63/83/1062296383.db2.gz PSJRGQQQKZDJHZ-OLZOCXBDSA-N 0 1 312.251 4.069 20 10 DICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1cccs1 ZINC001474609186 1062322580 /nfs/dbraw/zinc/32/25/80/1062322580.db2.gz OSCIQHREJZOSFC-LEWSCRJBSA-N 0 1 307.846 4.389 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC001474609959 1062326820 /nfs/dbraw/zinc/32/68/20/1062326820.db2.gz ZQINJKPUMIGAPY-UHFFFAOYSA-N 0 1 323.770 4.360 20 10 DICDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCc2ccccc21 ZINC001474613619 1062331642 /nfs/dbraw/zinc/33/16/42/1062331642.db2.gz HNYANBPDFGCRAT-LBPRGKRZSA-N 0 1 319.807 4.347 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@H]2CCCC2(F)F)ccc2ccccc21 ZINC001474683065 1062413675 /nfs/dbraw/zinc/41/36/75/1062413675.db2.gz FLKVWNYSRJGKSR-OAHLLOKOSA-N 0 1 305.368 4.461 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)ccc2ccccc21 ZINC001474745715 1062460505 /nfs/dbraw/zinc/46/05/05/1062460505.db2.gz ZMAAXIYNRRADAG-GOSISDBHSA-N 0 1 323.823 4.456 20 10 DICDMN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255719027 1062536462 /nfs/dbraw/zinc/53/64/62/1062536462.db2.gz BDDSKPUQXPUYJQ-ZIAGYGMSSA-N 0 1 301.352 4.335 20 10 DICDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255719027 1062536482 /nfs/dbraw/zinc/53/64/82/1062536482.db2.gz BDDSKPUQXPUYJQ-ZIAGYGMSSA-N 0 1 301.352 4.335 20 10 DICDMN CCCCOc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC001461126520 1063275985 /nfs/dbraw/zinc/27/59/85/1063275985.db2.gz CSSJDYOSAIMFBQ-UHFFFAOYSA-N 0 1 311.425 4.090 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC001461219791 1063343100 /nfs/dbraw/zinc/34/31/00/1063343100.db2.gz CBKYUWOBAPUMAF-PBHICJAKSA-N 0 1 301.817 4.075 20 10 DICDMN CCOc1cc(Cl)ccc1CNCc1ccc(OC)c(C)c1 ZINC001461374800 1063457686 /nfs/dbraw/zinc/45/76/86/1063457686.db2.gz QTFVCEHSMBCCCY-UHFFFAOYSA-N 0 1 319.832 4.346 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCc3ccccc3C2)c(Cl)c1 ZINC001461393273 1063469938 /nfs/dbraw/zinc/46/99/38/1063469938.db2.gz QXLXNSQQWAPBHL-AWEZNQCLSA-N 0 1 315.844 4.249 20 10 DICDMN Cc1ccccc1[C@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001473174190 1063479722 /nfs/dbraw/zinc/47/97/22/1063479722.db2.gz VHKLOAHHVLFPBZ-LAUBAEHRSA-N 0 1 324.468 4.023 20 10 DICDMN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC001461643904 1063630869 /nfs/dbraw/zinc/63/08/69/1063630869.db2.gz HSTZWCBDGBQJAJ-HOTGVXAUSA-N 0 1 323.864 4.262 20 10 DICDMN CC[N@H+](Cc1ccccc1[O-])[C@H](C)CCc1ccc(OC)cc1 ZINC001258406872 1063642403 /nfs/dbraw/zinc/64/24/03/1063642403.db2.gz UTILILPQFIUDEM-MRXNPFEDSA-N 0 1 313.441 4.244 20 10 DICDMN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCc1ccc(OC)cc1 ZINC001258406872 1063642413 /nfs/dbraw/zinc/64/24/13/1063642413.db2.gz UTILILPQFIUDEM-MRXNPFEDSA-N 0 1 313.441 4.244 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001461686362 1063658953 /nfs/dbraw/zinc/65/89/53/1063658953.db2.gz QDLSXILAKUUEEA-HNNXBMFYSA-N 0 1 308.208 4.476 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001461830791 1063740626 /nfs/dbraw/zinc/74/06/26/1063740626.db2.gz PEUDBZLWOWAVEA-CHWSQXEVSA-N 0 1 324.262 4.071 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001461830792 1063740733 /nfs/dbraw/zinc/74/07/33/1063740733.db2.gz PEUDBZLWOWAVEA-OLZOCXBDSA-N 0 1 324.262 4.071 20 10 DICDMN CCN(C/C=C\c1ccc(N(C)C)cc1)Cc1ccccc1F ZINC001461876548 1063767863 /nfs/dbraw/zinc/76/78/63/1063767863.db2.gz WRAZBLCECFMVNE-FPLPWBNLSA-N 0 1 312.432 4.427 20 10 DICDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893123 1063779733 /nfs/dbraw/zinc/77/97/33/1063779733.db2.gz BENJFUYQVXGUHE-WBMJQRKESA-N 0 1 303.352 4.048 20 10 DICDMN CCc1cccc(CN2CCc3c(F)cc(F)cc3[C@H]2C)c1O ZINC001461930018 1063816464 /nfs/dbraw/zinc/81/64/64/1063816464.db2.gz QYBMBHBZYQVRDI-GFCCVEGCSA-N 0 1 317.379 4.352 20 10 DICDMN C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cccc(F)c1[O-] ZINC001462033196 1063891720 /nfs/dbraw/zinc/89/17/20/1063891720.db2.gz XGLHSZKXHQDZJO-UHFFFAOYSA-N 0 1 301.405 4.461 20 10 DICDMN Cc1csc(CCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC001261245374 1063914334 /nfs/dbraw/zinc/91/43/34/1063914334.db2.gz ZGDSQDJKRSVKLQ-UHFFFAOYSA-N 0 1 312.438 4.033 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000816631181 1064411580 /nfs/dbraw/zinc/41/15/80/1064411580.db2.gz IYJCERMSONBVCN-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN CCC[N@H+](Cc1ccccc1[O-])CC1([C@@H]2CCCCO2)CCC1 ZINC001307502405 1065446118 /nfs/dbraw/zinc/44/61/18/1065446118.db2.gz WBAYCYSPEWXAAY-IBGZPJMESA-N 0 1 317.473 4.344 20 10 DICDMN CCC[N@@H+](Cc1ccccc1[O-])CC1([C@@H]2CCCCO2)CCC1 ZINC001307502405 1065446129 /nfs/dbraw/zinc/44/61/29/1065446129.db2.gz WBAYCYSPEWXAAY-IBGZPJMESA-N 0 1 317.473 4.344 20 10 DICDMN Cc1cc(C)cc(OCC[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC001308220996 1065828604 /nfs/dbraw/zinc/82/86/04/1065828604.db2.gz MBJPVYRQRNSUCY-UHFFFAOYSA-N 0 1 319.832 4.139 20 10 DICDMN Fc1ccc(-c2ccc(CNCc3ccc4c(c3)CCO4)o2)cc1 ZINC001308235617 1065842310 /nfs/dbraw/zinc/84/23/10/1065842310.db2.gz FRFBTXFIUYNVTM-UHFFFAOYSA-N 0 1 323.367 4.310 20 10 DICDMN CCC1(CC)[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C[C@H]1OC ZINC001308341243 1065926833 /nfs/dbraw/zinc/92/68/33/1065926833.db2.gz GIBAXDOMFBMTBC-HZPDHXFCSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3ncccc3c2)c(Cl)c1 ZINC001308396083 1065962087 /nfs/dbraw/zinc/96/20/87/1065962087.db2.gz JYNFRBPOQZIFBV-UHFFFAOYSA-N 0 1 312.800 4.192 20 10 DICDMN Cc1ccc(CCC[NH2+]Cc2c([O-])cccc2Cl)c(C)c1 ZINC001308488725 1066022789 /nfs/dbraw/zinc/02/27/89/1066022789.db2.gz GBTWTVHNVRYBQQ-UHFFFAOYSA-N 0 1 303.833 4.385 20 10 DICDMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1cccc(F)c1[O-] ZINC001308593426 1066104877 /nfs/dbraw/zinc/10/48/77/1066104877.db2.gz IOZZAQZHKQLIKB-KRWDZBQOSA-N 0 1 301.405 4.375 20 10 DICDMN C[N@@H+](CCCc1ccccc1)Cc1c([O-])ccc(Cl)c1F ZINC001308604060 1066113721 /nfs/dbraw/zinc/11/37/21/1066113721.db2.gz SAJYNUWQUSHBDO-UHFFFAOYSA-N 0 1 307.796 4.249 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1c1ccccc1 ZINC001308608848 1066114904 /nfs/dbraw/zinc/11/49/04/1066114904.db2.gz KTLRRBUEZQGDLH-MEDUHNTESA-N 0 1 305.780 4.378 20 10 DICDMN Cc1cc(N(C)C)ccc1CN(C)Cc1ccc(Cl)s1 ZINC001308651094 1066137785 /nfs/dbraw/zinc/13/77/85/1066137785.db2.gz PNDGFVNLGCWQFH-UHFFFAOYSA-N 0 1 308.878 4.408 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC001308659136 1066141956 /nfs/dbraw/zinc/14/19/56/1066141956.db2.gz KDAMUXPKSBEGRT-KRWDZBQOSA-N 0 1 301.817 4.253 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC001308659136 1066141959 /nfs/dbraw/zinc/14/19/59/1066141959.db2.gz KDAMUXPKSBEGRT-KRWDZBQOSA-N 0 1 301.817 4.253 20 10 DICDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001308667537 1066146135 /nfs/dbraw/zinc/14/61/35/1066146135.db2.gz DHVDLXHEPRNTBE-MSOLQXFVSA-N 0 1 313.441 4.227 20 10 DICDMN Cc1cc(C)cc(C2=CC[N@@H+](Cc3cccc(F)c3[O-])CC2)c1 ZINC001308678904 1066151605 /nfs/dbraw/zinc/15/16/05/1066151605.db2.gz LRQBETQHQJKYSX-UHFFFAOYSA-N 0 1 311.400 4.437 20 10 DICDMN C[C@@H]1COc2ccccc2CN1C/C=C\c1ccc(N(C)C)cc1 ZINC001308686056 1066154721 /nfs/dbraw/zinc/15/47/21/1066154721.db2.gz XWOKAMZAFZKAEI-JTGQJZMRSA-N 0 1 322.452 4.049 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1Cl ZINC001308686453 1066155115 /nfs/dbraw/zinc/15/51/15/1066155115.db2.gz PNIPWBDWOMTRRA-OAHLLOKOSA-N 0 1 323.864 4.326 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1Cl ZINC001308710195 1066191983 /nfs/dbraw/zinc/19/19/83/1066191983.db2.gz DAXVVWSOMPRWKT-RDJZCZTQSA-N 0 1 311.853 4.037 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC001308717162 1066195071 /nfs/dbraw/zinc/19/50/71/1066195071.db2.gz CDANKBSILXMGLN-QGZVFWFLSA-N 0 1 305.780 4.116 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC001308717162 1066195086 /nfs/dbraw/zinc/19/50/86/1066195086.db2.gz CDANKBSILXMGLN-QGZVFWFLSA-N 0 1 305.780 4.116 20 10 DICDMN Oc1cc(Cl)ccc1CN1CC[C@](F)(c2ccccc2)C1 ZINC001308717162 1066195091 /nfs/dbraw/zinc/19/50/91/1066195091.db2.gz CDANKBSILXMGLN-QGZVFWFLSA-N 0 1 305.780 4.116 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1Cl ZINC001308766635 1066240632 /nfs/dbraw/zinc/24/06/32/1066240632.db2.gz NJNWSXWONXTJOF-CYBMUJFWSA-N 0 1 322.663 4.418 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1 ZINC001308820095 1066295702 /nfs/dbraw/zinc/29/57/02/1066295702.db2.gz OZMFMOGNHIMJHG-NSHDSACASA-N 0 1 312.251 4.084 20 10 DICDMN CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001308862160 1066340569 /nfs/dbraw/zinc/34/05/69/1066340569.db2.gz SLDQLEIYCHKXHD-UHFFFAOYSA-N 0 1 315.457 4.212 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1Cl ZINC001308863012 1066341970 /nfs/dbraw/zinc/34/19/70/1066341970.db2.gz CYSHPIYFKQKFOQ-KBXCAEBGSA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1Cl ZINC001308863012 1066341987 /nfs/dbraw/zinc/34/19/87/1066341987.db2.gz CYSHPIYFKQKFOQ-KBXCAEBGSA-N 0 1 323.864 4.135 20 10 DICDMN CC(C)(NCc1cc(F)ccc1O)c1nc2ccccc2s1 ZINC001308884152 1066361764 /nfs/dbraw/zinc/36/17/64/1066361764.db2.gz MZKSFMVNAIITDR-UHFFFAOYSA-N 0 1 316.401 4.166 20 10 DICDMN CC(C)c1ccc(O)c(CN[C@@H](CF)c2ccc(F)cc2)c1 ZINC001308908662 1066385619 /nfs/dbraw/zinc/38/56/19/1066385619.db2.gz IBKXGNJSLJNVDB-KRWDZBQOSA-N 0 1 305.368 4.455 20 10 DICDMN C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc2ccccc2c1[O-] ZINC000186740158 200001190 /nfs/dbraw/zinc/00/11/90/200001190.db2.gz FBPNUEYFRLTPOG-QWHCGFSZSA-N 0 1 312.438 4.456 20 10 DICDMN Cc1csc(C2(N[C@@H](C)c3cc(F)ccc3O)CCC2)n1 ZINC000273520466 130132331 /nfs/dbraw/zinc/13/23/31/130132331.db2.gz UBJDYNHRMCQSBC-NSHDSACASA-N 0 1 306.406 4.026 20 10 DICDMN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc2ccccc2c1[O-] ZINC000273620032 130145550 /nfs/dbraw/zinc/14/55/50/130145550.db2.gz YTEQFEZUUFFZHL-OAHLLOKOSA-N 0 1 313.441 4.139 20 10 DICDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cn1 ZINC000274943834 334067887 /nfs/dbraw/zinc/06/78/87/334067887.db2.gz UAJPVXYCNUNSQP-AWEZNQCLSA-N 0 1 315.848 4.186 20 10 DICDMN Fc1ccc2c(c1)nccc2NCCCSc1nccs1 ZINC000301805163 336331368 /nfs/dbraw/zinc/33/13/68/336331368.db2.gz XNSGRZJGAIAZFU-UHFFFAOYSA-N 0 1 319.430 4.425 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000475201666 339441432 /nfs/dbraw/zinc/44/14/32/339441432.db2.gz JJAMHTYYYGDLQV-CXAGYDPISA-N 0 1 308.425 4.493 20 10 DICDMN CC[C@H](N[C@@H](COC)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000156447436 522708694 /nfs/dbraw/zinc/70/86/94/522708694.db2.gz FXBPAFLISDMQES-ROUUACIJSA-N 0 1 316.445 4.082 20 10 DICDMN CC[C@H](N[C@H](COC)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000156447684 522748526 /nfs/dbraw/zinc/74/85/26/522748526.db2.gz FXBPAFLISDMQES-ZWKOTPCHSA-N 0 1 316.445 4.082 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000157634769 525574526 /nfs/dbraw/zinc/57/45/26/525574526.db2.gz ZWVVJKVWGMBIFS-CRFBAAHOSA-N 0 1 311.425 4.154 20 10 DICDMN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716306 525688841 /nfs/dbraw/zinc/68/88/41/525688841.db2.gz ZUWHVLUJTOLMSE-ACJLOTCBSA-N 0 1 314.404 4.066 20 10 DICDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000180154231 526743069 /nfs/dbraw/zinc/74/30/69/526743069.db2.gz GGBCJPDGOCFCRS-SNVBAGLBSA-N 0 1 310.850 4.312 20 10 DICDMN CCN(C)c1ccc([C@H](C)N[C@H](CCOC)c2ccco2)cc1 ZINC000272485726 535765423 /nfs/dbraw/zinc/76/54/23/535765423.db2.gz BPXNCJMGIKXYGV-MAUKXSAKSA-N 0 1 316.445 4.164 20 10 DICDMN CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287662846 535802742 /nfs/dbraw/zinc/80/27/42/535802742.db2.gz LTGKKGSJCGZSLF-MRXNPFEDSA-N 0 1 324.896 4.349 20 10 DICDMN Cc1csc([C@H](C)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000069168576 1036574191 /nfs/dbraw/zinc/57/41/91/1036574191.db2.gz VLVXTSUYBUBUMQ-HNNXBMFYSA-N 0 1 315.486 4.293 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000083551624 1036895035 /nfs/dbraw/zinc/89/50/35/1036895035.db2.gz DSQXTDFJRWANMF-UHFFFAOYSA-N 0 1 315.722 4.354 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001140338190 1037471701 /nfs/dbraw/zinc/47/17/01/1037471701.db2.gz ZJDYFJKYYVKINR-UHFFFAOYSA-N 0 1 301.764 4.057 20 10 DICDMN CC[C@@H]([NH2+]CCc1scnc1C)c1cc(Cl)ccc1[O-] ZINC000834881575 1037695729 /nfs/dbraw/zinc/69/57/29/1037695729.db2.gz UNTIWIMEUKTLDX-CYBMUJFWSA-N 0 1 310.850 4.094 20 10 DICDMN [O-]c1cccc(Br)c1C[NH+]1C2CCCC1CCC2 ZINC000707128658 1037808167 /nfs/dbraw/zinc/80/81/67/1037808167.db2.gz ZCJOSBBABVOIJZ-UHFFFAOYSA-N 0 1 310.235 4.062 20 10 DICDMN COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140466058 1038145596 /nfs/dbraw/zinc/14/55/96/1038145596.db2.gz VRDXCDFUPNZRFT-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140466058 1038145604 /nfs/dbraw/zinc/14/56/04/1038145604.db2.gz VRDXCDFUPNZRFT-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN C[C@H](c1ncc(-c2ccccc2)o1)N(C)Cc1ccccc1O ZINC000152295499 1038606059 /nfs/dbraw/zinc/60/60/59/1038606059.db2.gz OPVGXOSDYHTKKW-CQSZACIVSA-N 0 1 308.381 4.240 20 10 DICDMN Cc1cc(CN2CCc3cccc(O)c3C2)cc(C(F)(F)F)c1 ZINC001143458693 1040118170 /nfs/dbraw/zinc/11/81/70/1040118170.db2.gz QVVBWXZVLSDYJF-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN COC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000808699917 1041007237 /nfs/dbraw/zinc/00/72/37/1041007237.db2.gz DTBRZXFYURXZQF-DOMZBBRYSA-N 0 1 323.820 4.294 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000808700178 1041008685 /nfs/dbraw/zinc/00/86/85/1041008685.db2.gz IQDGJQHJVYNMMU-LRDDRELGSA-N 0 1 311.853 4.210 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1[O-] ZINC000808700284 1041009417 /nfs/dbraw/zinc/00/94/17/1041009417.db2.gz KAAROGOCTDCMMR-KGLIPLIRSA-N 0 1 313.869 4.049 20 10 DICDMN c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000809693147 1041214198 /nfs/dbraw/zinc/21/41/98/1041214198.db2.gz ORQYEFVVWHAYDT-FQEVSTJZSA-N 0 1 324.472 4.127 20 10 DICDMN c1cc([C@@H]2CCCCN2Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000809693147 1041214213 /nfs/dbraw/zinc/21/42/13/1041214213.db2.gz ORQYEFVVWHAYDT-FQEVSTJZSA-N 0 1 324.472 4.127 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000809689352 1041223697 /nfs/dbraw/zinc/22/36/97/1041223697.db2.gz YVBWFZIHHIBHBF-UHFFFAOYSA-N 0 1 307.752 4.067 20 10 DICDMN CCSCCN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731591 1041226358 /nfs/dbraw/zinc/22/63/58/1041226358.db2.gz KPIGKMKMFWRGSV-UHFFFAOYSA-N 0 1 318.486 4.101 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC(F)(F)CC1 ZINC000809781833 1041254749 /nfs/dbraw/zinc/25/47/49/1041254749.db2.gz BVEOPEIOMIPQSH-UHFFFAOYSA-N 0 1 307.743 4.194 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccc(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211551 1041337276 /nfs/dbraw/zinc/33/72/76/1041337276.db2.gz SXQYJFMPKNRJCM-OAHLLOKOSA-N 0 1 324.346 4.355 20 10 DICDMN CC[C@H]([NH2+]CCc1ccncc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223407 1041341942 /nfs/dbraw/zinc/34/19/42/1041341942.db2.gz LFAZNFFIZQWIDZ-HNNXBMFYSA-N 0 1 324.346 4.089 20 10 DICDMN CC[C@H]([NH2+]Cc1cncc(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229224 1041343347 /nfs/dbraw/zinc/34/33/47/1041343347.db2.gz UWBVBUHJQRPMTF-HNNXBMFYSA-N 0 1 324.346 4.355 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC1(F)F ZINC000811512504 1041534846 /nfs/dbraw/zinc/53/48/46/1041534846.db2.gz MWMUESSVBRFCIN-QMMMGPOBSA-N 0 1 310.171 4.176 20 10 DICDMN Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185435370 1041614011 /nfs/dbraw/zinc/61/40/11/1041614011.db2.gz HDGISICOWFCAHZ-FOIQADDNSA-N 0 1 321.420 4.238 20 10 DICDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2nc(C)cs2)cc1 ZINC000162325733 1041617979 /nfs/dbraw/zinc/61/79/79/1041617979.db2.gz CBYWZVPCEITVFM-KGLIPLIRSA-N 0 1 303.475 4.319 20 10 DICDMN C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756534354 1041691133 /nfs/dbraw/zinc/69/11/33/1041691133.db2.gz KHJCSEUNHQWUCA-CHWSQXEVSA-N 0 1 319.832 4.423 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000813872997 1041740360 /nfs/dbraw/zinc/74/03/60/1041740360.db2.gz MVGUDXAXTXLQGO-NWDGAFQWSA-N 0 1 301.352 4.398 20 10 DICDMN C[C@]12CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]1C2(F)F ZINC000814169262 1041782728 /nfs/dbraw/zinc/78/27/28/1041782728.db2.gz FUDVOEKJWSXSOC-YPMHNXCESA-N 0 1 322.182 4.176 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814301623 1041808635 /nfs/dbraw/zinc/80/86/35/1041808635.db2.gz YXPABKXFNFJYSC-MQMHXKEQSA-N 0 1 305.780 4.221 20 10 DICDMN C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756661750 1041851592 /nfs/dbraw/zinc/85/15/92/1041851592.db2.gz VEZYNWWXTIUZGO-WBMJQRKESA-N 0 1 311.853 4.028 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651953 1041986971 /nfs/dbraw/zinc/98/69/71/1041986971.db2.gz JWRGPRXMCFMIJF-OCCSQVGLSA-N 0 1 319.367 4.001 20 10 DICDMN Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c([O-])cccc1Cl)CCC2 ZINC000125583900 1042014633 /nfs/dbraw/zinc/01/46/33/1042014633.db2.gz VPKBKVPEHNRXEL-AWEZNQCLSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c([O-])cccc1Cl)CCC2 ZINC000125583900 1042014642 /nfs/dbraw/zinc/01/46/42/1042014642.db2.gz VPKBKVPEHNRXEL-AWEZNQCLSA-N 0 1 322.861 4.320 20 10 DICDMN [O-]c1c(C[NH+]2CCC(C(F)(F)F)CC2)ccc2ccccc21 ZINC000816484290 1042055674 /nfs/dbraw/zinc/05/56/74/1042055674.db2.gz WVNVYGYQVWZUML-UHFFFAOYSA-N 0 1 309.331 4.320 20 10 DICDMN CC(C)(C)OC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816496769 1042057653 /nfs/dbraw/zinc/05/76/53/1042057653.db2.gz WNWHLYPECDQFLF-UHFFFAOYSA-N 0 1 313.441 4.325 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@H]2c2ccccn2)ccc2ccccc21 ZINC000816487094 1042057724 /nfs/dbraw/zinc/05/77/24/1042057724.db2.gz CUOWBJVJDWKTML-IBGZPJMESA-N 0 1 304.393 4.278 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2ccccn2)ccc2ccccc21 ZINC000816487094 1042057727 /nfs/dbraw/zinc/05/77/27/1042057727.db2.gz CUOWBJVJDWKTML-IBGZPJMESA-N 0 1 304.393 4.278 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C)c1cccc(O)c1 ZINC000816493395 1042058204 /nfs/dbraw/zinc/05/82/04/1042058204.db2.gz ZKEWFYVXXBLBOR-LLVKDONJSA-N 0 1 323.795 4.473 20 10 DICDMN CS[C@@H]1CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816520944 1042060056 /nfs/dbraw/zinc/06/00/56/1042060056.db2.gz BTJHMDIHCPSUOY-MRXNPFEDSA-N 0 1 301.455 4.263 20 10 DICDMN CS[C@@H]1CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816520944 1042060057 /nfs/dbraw/zinc/06/00/57/1042060057.db2.gz BTJHMDIHCPSUOY-MRXNPFEDSA-N 0 1 301.455 4.263 20 10 DICDMN [O-]c1c(C[NH2+]CCSc2ccccc2)ccc2ccccc21 ZINC000816530102 1042061983 /nfs/dbraw/zinc/06/19/83/1042061983.db2.gz UDGKOAFJJMLHFF-UHFFFAOYSA-N 0 1 309.434 4.427 20 10 DICDMN CCOc1cccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816535410 1042062840 /nfs/dbraw/zinc/06/28/40/1042062840.db2.gz NTZMEVNDIUMVAR-UHFFFAOYSA-N 0 1 307.393 4.234 20 10 DICDMN [O-]c1c(C[NH2+]CC2(c3ccccc3)CC2)ccc2ccccc21 ZINC000816532910 1042063378 /nfs/dbraw/zinc/06/33/78/1042063378.db2.gz ASZFGOVOVZUSDJ-UHFFFAOYSA-N 0 1 303.405 4.367 20 10 DICDMN CCN(C)c1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548213 1042065301 /nfs/dbraw/zinc/06/53/01/1042065301.db2.gz ZTSCKLUICOXQAE-UHFFFAOYSA-N 0 1 320.436 4.291 20 10 DICDMN COc1cc(C)ccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557296 1042067672 /nfs/dbraw/zinc/06/76/72/1042067672.db2.gz LFGNZDVVILNBFZ-UHFFFAOYSA-N 0 1 307.393 4.152 20 10 DICDMN [O-]c1c(C[NH2+]Cc2cccc3cccnc32)ccc2ccccc21 ZINC000816562160 1042068778 /nfs/dbraw/zinc/06/87/78/1042068778.db2.gz AWMFYUZEQVWWCB-UHFFFAOYSA-N 0 1 314.388 4.383 20 10 DICDMN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559626 1042068843 /nfs/dbraw/zinc/06/88/43/1042068843.db2.gz PSHSQNGKIKDQLM-FUHWJXTLSA-N 0 1 313.441 4.229 20 10 DICDMN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560679 1042069246 /nfs/dbraw/zinc/06/92/46/1042069246.db2.gz XGBZDIWYSFZPIJ-ZWKOTPCHSA-N 0 1 313.441 4.229 20 10 DICDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000816601020 1042071244 /nfs/dbraw/zinc/07/12/44/1042071244.db2.gz ORAIEUIJSPVSSG-MUJYYYPQSA-N 0 1 313.441 4.229 20 10 DICDMN [O-]c1c(C[NH2+]C[C@H]2CCCC(F)(F)C2)ccc2ccccc21 ZINC000816599270 1042071440 /nfs/dbraw/zinc/07/14/40/1042071440.db2.gz HQXHNKASLWBZIG-ZDUSSCGKSA-N 0 1 305.368 4.461 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC=C(c3ccco3)C2)ccc2ccccc21 ZINC000816608224 1042071585 /nfs/dbraw/zinc/07/15/85/1042071585.db2.gz SJILFDZECYPYJY-UHFFFAOYSA-N 0 1 305.377 4.428 20 10 DICDMN [O-]c1c(C[N@H+]2CCC=C(c3ccco3)C2)ccc2ccccc21 ZINC000816608224 1042071590 /nfs/dbraw/zinc/07/15/90/1042071590.db2.gz SJILFDZECYPYJY-UHFFFAOYSA-N 0 1 305.377 4.428 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817413106 1042108434 /nfs/dbraw/zinc/10/84/34/1042108434.db2.gz UDCQHFCJIOJKAR-SNVBAGLBSA-N 0 1 307.743 4.210 20 10 DICDMN COc1cc(Cl)ccc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000817574491 1042115065 /nfs/dbraw/zinc/11/50/65/1042115065.db2.gz OVPIRDDSLXWVGP-LBPRGKRZSA-N 0 1 317.816 4.134 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(Cl)ccc1[O-] ZINC000817588071 1042119546 /nfs/dbraw/zinc/11/95/46/1042119546.db2.gz BRXNSOBWQCQDFQ-RYUDHWBXSA-N 0 1 311.878 4.230 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000817968094 1042135272 /nfs/dbraw/zinc/13/52/72/1042135272.db2.gz PAHCCBYFZLFPSY-APPDUMDISA-N 0 1 316.832 4.356 20 10 DICDMN COc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000818329890 1042147719 /nfs/dbraw/zinc/14/77/19/1042147719.db2.gz HQRBAXGGGCGDLG-GFCCVEGCSA-N 0 1 317.816 4.134 20 10 DICDMN Cc1ccc([C@@H](NCc2cc(F)ccc2O)c2ccccn2)cc1 ZINC000366249424 1042365533 /nfs/dbraw/zinc/36/55/33/1042365533.db2.gz KADNQQCCLAMGBV-HXUWFJFHSA-N 0 1 322.383 4.114 20 10 DICDMN CC[C@@H](N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(C)cc1O ZINC000279930478 1042385699 /nfs/dbraw/zinc/38/56/99/1042385699.db2.gz AQMPFBPNAVBSBY-KCQAQPDRSA-N 0 1 316.449 4.134 20 10 DICDMN CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1nccs1 ZINC000078004211 1042489283 /nfs/dbraw/zinc/48/92/83/1042489283.db2.gz LTAFWFNSMDHHFF-MRXNPFEDSA-N 0 1 303.475 4.230 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCc2ccccc2F)c(Cl)c1 ZINC001204736091 1042615131 /nfs/dbraw/zinc/61/51/31/1042615131.db2.gz HQEHWZYRNIMOAO-UHFFFAOYSA-N 0 1 307.796 4.168 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCc2ccccc2F)c(Cl)c1 ZINC001204736091 1042615134 /nfs/dbraw/zinc/61/51/34/1042615134.db2.gz HQEHWZYRNIMOAO-UHFFFAOYSA-N 0 1 307.796 4.168 20 10 DICDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183729495 1043170301 /nfs/dbraw/zinc/17/03/01/1043170301.db2.gz OVEQOMLANLGWCY-SNVBAGLBSA-N 0 1 311.212 4.287 20 10 DICDMN CC(C)COC[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185289445 1043199246 /nfs/dbraw/zinc/19/92/46/1043199246.db2.gz WDGHPQQIMQDJNJ-XJKSGUPXSA-N 0 1 321.392 4.189 20 10 DICDMN CCc1nc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2O)cs1 ZINC000185425136 1043199830 /nfs/dbraw/zinc/19/98/30/1043199830.db2.gz XSSRGAVMKKQRNB-VHSXEESVSA-N 0 1 310.850 4.476 20 10 DICDMN Cc1ccc([C@H](C)NCc2nc(C(C)(C)C)cs2)c(O)c1 ZINC000185374341 1043200376 /nfs/dbraw/zinc/20/03/76/1043200376.db2.gz ZPYVMUWEBZVSOO-LBPRGKRZSA-N 0 1 304.459 4.305 20 10 DICDMN C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2c1[O-] ZINC000185534637 1043202914 /nfs/dbraw/zinc/20/29/14/1043202914.db2.gz OZOCHSPZXRTBGP-RNHZPVLASA-N 0 1 311.425 4.010 20 10 DICDMN C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2c1[O-] ZINC000185534605 1043203378 /nfs/dbraw/zinc/20/33/78/1043203378.db2.gz OZOCHSPZXRTBGP-QUSXHRHCSA-N 0 1 311.425 4.010 20 10 DICDMN CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185678390 1043206454 /nfs/dbraw/zinc/20/64/54/1043206454.db2.gz SKEPSGDIDHNIAJ-JTQLQIEISA-N 0 1 308.809 4.009 20 10 DICDMN Cc1nc([C@H]2CCCN2Cc2cc(C)c(C)cc2O)cs1 ZINC000186864638 1043237810 /nfs/dbraw/zinc/23/78/10/1043237810.db2.gz XZJADJWGGIJUFY-MRXNPFEDSA-N 0 1 302.443 4.111 20 10 DICDMN COc1ccc(F)cc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000187586195 1043247185 /nfs/dbraw/zinc/24/71/85/1043247185.db2.gz YNXBMSVPJYVWSH-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN CCOCc1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187869597 1043253959 /nfs/dbraw/zinc/25/39/59/1043253959.db2.gz JMMFQEMMFXDOHL-NSHDSACASA-N 0 1 307.340 4.380 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc(F)cc(F)c1 ZINC000122450062 1043305890 /nfs/dbraw/zinc/30/58/90/1043305890.db2.gz ZDXKISXNRQVAEA-NSHDSACASA-N 0 1 308.347 4.021 20 10 DICDMN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000122669761 1043319953 /nfs/dbraw/zinc/31/99/53/1043319953.db2.gz BKTHICJJRCHRQS-AWEZNQCLSA-N 0 1 316.420 4.060 20 10 DICDMN C[C@@H](NCc1ncc(Cl)s1)c1cc2c(cc1O)CCCC2 ZINC000872117017 1043465232 /nfs/dbraw/zinc/46/52/32/1043465232.db2.gz WWNCPADGIWVSFA-SNVBAGLBSA-N 0 1 322.861 4.232 20 10 DICDMN CC[C@H](NCc1ncc(Cl)s1)c1cc(Cl)ccc1O ZINC000872116988 1043465397 /nfs/dbraw/zinc/46/53/97/1043465397.db2.gz WJYALRXHKGZZJA-JTQLQIEISA-N 0 1 317.241 4.396 20 10 DICDMN CCCOc1ccc(CN[C@@H](C)c2cnc(C)s2)cc1C ZINC000873150874 1043518901 /nfs/dbraw/zinc/51/89/01/1043518901.db2.gz RIXVSQWYLVKDBW-ZDUSSCGKSA-N 0 1 304.459 4.400 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000124408544 1043521921 /nfs/dbraw/zinc/52/19/21/1043521921.db2.gz RDJVBSXIWNCJKI-OLZOCXBDSA-N 0 1 304.384 4.443 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(c3cccnc3)CC2)cc1Cl ZINC000825910070 1043716187 /nfs/dbraw/zinc/71/61/87/1043716187.db2.gz BQFHVRSLSZJMIJ-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN CC[C@H](C)n1ncc(NCc2ccc(F)c(F)c2O)c1C1CC1 ZINC000877133501 1043746752 /nfs/dbraw/zinc/74/67/52/1043746752.db2.gz DAQKJGIXZXVEPC-JTQLQIEISA-N 0 1 321.371 4.327 20 10 DICDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(N(C)C)cc1 ZINC000777702785 1043766852 /nfs/dbraw/zinc/76/68/52/1043766852.db2.gz TWDUXEQXLZGZQX-CQSZACIVSA-N 0 1 315.436 4.126 20 10 DICDMN CCCCn1nc(C)c(CN[C@H](C)c2ccccc2O)c1Cl ZINC000877756445 1043792499 /nfs/dbraw/zinc/79/24/99/1043792499.db2.gz IZJHEPMRTBSSNZ-GFCCVEGCSA-N 0 1 321.852 4.201 20 10 DICDMN CCCCn1nc(C)c(CN[C@@H](C)c2ccccc2O)c1Cl ZINC000877757143 1043793690 /nfs/dbraw/zinc/79/36/90/1043793690.db2.gz IZJHEPMRTBSSNZ-LBPRGKRZSA-N 0 1 321.852 4.201 20 10 DICDMN CCCC[C@H](CC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001257413020 1043966103 /nfs/dbraw/zinc/96/61/03/1043966103.db2.gz QSPBSJCCZKVARB-ZDUSSCGKSA-N 0 1 300.240 4.213 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cnccc2C(C)(C)C)cc1Cl ZINC000826122262 1043990152 /nfs/dbraw/zinc/99/01/52/1043990152.db2.gz ZMSVAGUGPUJEEJ-UHFFFAOYSA-N 0 1 318.848 4.336 20 10 DICDMN CCCc1nc(C)c(CNCc2ccc(N(CC)CC)cc2)o1 ZINC000291767950 1044101593 /nfs/dbraw/zinc/10/15/93/1044101593.db2.gz SIJBCMWPOURKMQ-UHFFFAOYSA-N 0 1 315.461 4.072 20 10 DICDMN CCC(CC)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000778119710 1044157498 /nfs/dbraw/zinc/15/74/98/1044157498.db2.gz XWBGVTRLWVCJIU-CXAGYDPISA-N 0 1 311.853 4.119 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)cc1F ZINC000778180435 1044202060 /nfs/dbraw/zinc/20/20/60/1044202060.db2.gz TUHGRBBRNHJUAR-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN Oc1cccc(Cl)c1CNCc1ccc(Cl)cc1F ZINC000778180435 1044202073 /nfs/dbraw/zinc/20/20/73/1044202073.db2.gz TUHGRBBRNHJUAR-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN CC[C@H](NCc1ccc(C)nc1Cl)c1ccc(N(C)C)cc1 ZINC000883301803 1044262443 /nfs/dbraw/zinc/26/24/43/1044262443.db2.gz IMSLYIQGZAUQRP-KRWDZBQOSA-N 0 1 317.864 4.350 20 10 DICDMN COc1ccc(O)c([C@H](C)N[C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000883376477 1044290707 /nfs/dbraw/zinc/29/07/07/1044290707.db2.gz LRVPTQSJTSIQQA-OEPMTFCVSA-N 0 1 315.388 4.077 20 10 DICDMN C[C@H]([N@@H+](C)Cc1cccc(Br)c1[O-])C(C)(C)C ZINC000132562983 1044329222 /nfs/dbraw/zinc/32/92/22/1044329222.db2.gz VZRTXZGJNYYCFF-JTQLQIEISA-N 0 1 300.240 4.021 20 10 DICDMN CCN(CC)c1ccc(CNC(C)(C)c2nc(C)cs2)cc1 ZINC000116381367 1044470526 /nfs/dbraw/zinc/47/05/26/1044470526.db2.gz LPRQUCCYJKMNQD-UHFFFAOYSA-N 0 1 317.502 4.323 20 10 DICDMN C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(F)c(F)c1O ZINC000295012930 1044480393 /nfs/dbraw/zinc/48/03/93/1044480393.db2.gz MYDFUAWGPVAKEV-YPMHNXCESA-N 0 1 319.351 4.347 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)c2ccccc2O1 ZINC000295101399 1044489651 /nfs/dbraw/zinc/48/96/51/1044489651.db2.gz SULSTUOMVQQQSP-IAQYHMDHSA-N 0 1 303.789 4.048 20 10 DICDMN Cc1cnc([C@H](C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840939839 1044542511 /nfs/dbraw/zinc/54/25/11/1044542511.db2.gz RPOHYOZHOKLETJ-SNVBAGLBSA-N 0 1 310.850 4.012 20 10 DICDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccnc1 ZINC000840975147 1044656492 /nfs/dbraw/zinc/65/64/92/1044656492.db2.gz LUHGXJQWESHPJL-UHFFFAOYSA-N 0 1 306.409 4.008 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cc(Cl)ccc1[O-] ZINC000886684801 1044679528 /nfs/dbraw/zinc/67/95/28/1044679528.db2.gz SRDCSSIMGLMGHX-AWEZNQCLSA-N 0 1 306.793 4.152 20 10 DICDMN Cc1ccc([C@H](NCc2cc(F)ccc2O)c2ccccn2)cc1 ZINC000366249423 1044715869 /nfs/dbraw/zinc/71/58/69/1044715869.db2.gz KADNQQCCLAMGBV-FQEVSTJZSA-N 0 1 322.383 4.114 20 10 DICDMN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1c1cccnc1 ZINC000366535515 1044720010 /nfs/dbraw/zinc/72/00/10/1044720010.db2.gz OQLXXEUXRFBKRG-MRXNPFEDSA-N 0 1 302.805 4.024 20 10 DICDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1c1cccnc1 ZINC000366535515 1044720021 /nfs/dbraw/zinc/72/00/21/1044720021.db2.gz OQLXXEUXRFBKRG-MRXNPFEDSA-N 0 1 302.805 4.024 20 10 DICDMN CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000300419614 1044822632 /nfs/dbraw/zinc/82/26/32/1044822632.db2.gz YJQCKZGCMRYBBN-VHDGCEQUSA-N 0 1 301.455 4.480 20 10 DICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000887559245 1044853323 /nfs/dbraw/zinc/85/33/23/1044853323.db2.gz GPIKNLMYJXINHJ-UHFFFAOYSA-N 0 1 318.420 4.320 20 10 DICDMN CCCOc1ccc(CN[C@@](C)(CC)c2nccs2)c(O)c1 ZINC000152655144 1045046470 /nfs/dbraw/zinc/04/64/70/1045046470.db2.gz SMWQGWKWCMIDBD-KRWDZBQOSA-N 0 1 320.458 4.053 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000779021760 1045147166 /nfs/dbraw/zinc/14/71/66/1045147166.db2.gz YKKBGQVETTWVIC-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000528005420 1045293378 /nfs/dbraw/zinc/29/33/78/1045293378.db2.gz ZXFRWXJLEAEZKK-YJBOKZPZSA-N 0 1 324.468 4.213 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000528005416 1045293502 /nfs/dbraw/zinc/29/35/02/1045293502.db2.gz ZXFRWXJLEAEZKK-QAPCUYQASA-N 0 1 324.468 4.213 20 10 DICDMN CC(C)Oc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000113325789 1045561220 /nfs/dbraw/zinc/56/12/20/1045561220.db2.gz LCLOEGRTOUHFHP-UHFFFAOYSA-N 0 1 305.805 4.123 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000800498444 1045635154 /nfs/dbraw/zinc/63/51/54/1045635154.db2.gz KJCMPHRVWNGOFH-XNRPHZJLSA-N 0 1 319.420 4.019 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000800499870 1045635385 /nfs/dbraw/zinc/63/53/85/1045635385.db2.gz NTQVYPAVRDXGCN-MFKMUULPSA-N 0 1 313.363 4.495 20 10 DICDMN C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cc(Cl)ccc1[O-] ZINC000800987429 1045678203 /nfs/dbraw/zinc/67/82/03/1045678203.db2.gz XSRVYGACWORHHP-WFASDCNBSA-N 0 1 317.816 4.090 20 10 DICDMN C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1c([O-])cccc1F ZINC001137837640 1045981386 /nfs/dbraw/zinc/98/13/86/1045981386.db2.gz PDQIGHSJHPMXEG-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H](CC)C1 ZINC000802657328 1046026779 /nfs/dbraw/zinc/02/67/79/1046026779.db2.gz AZWFZXSEPHCROZ-AEFFLSMTSA-N 0 1 305.462 4.200 20 10 DICDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H](CC)C1 ZINC000802657328 1046026790 /nfs/dbraw/zinc/02/67/90/1046026790.db2.gz AZWFZXSEPHCROZ-AEFFLSMTSA-N 0 1 305.462 4.200 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000802655930 1046027509 /nfs/dbraw/zinc/02/75/09/1046027509.db2.gz ATOOXUDILIMNFP-KRWDZBQOSA-N 0 1 305.780 4.116 20 10 DICDMN CCCCN(Cc1ncc(CC)s1)Cc1ccccc1O ZINC000802657808 1046031224 /nfs/dbraw/zinc/03/12/24/1046031224.db2.gz UIGNKEGRCMHDDY-UHFFFAOYSA-N 0 1 304.459 4.213 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000193701135 1046061104 /nfs/dbraw/zinc/06/11/04/1046061104.db2.gz YEZODUSXYTUKPO-CYBMUJFWSA-N 0 1 322.364 4.304 20 10 DICDMN C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc2ccccc2c1[O-] ZINC000756364731 1046072726 /nfs/dbraw/zinc/07/27/26/1046072726.db2.gz VBBORYQNBYLYGC-AWEZNQCLSA-N 0 1 317.392 4.044 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756494880 1046092491 /nfs/dbraw/zinc/09/24/91/1046092491.db2.gz OXIAGLCNMOPXDN-QWHCGFSZSA-N 0 1 305.805 4.164 20 10 DICDMN C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(Cl)ccc1[O-] ZINC000756510126 1046094452 /nfs/dbraw/zinc/09/44/52/1046094452.db2.gz HFXIBOQVEJAKBX-SNVBAGLBSA-N 0 1 311.759 4.217 20 10 DICDMN CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c1C ZINC000756534889 1046095831 /nfs/dbraw/zinc/09/58/31/1046095831.db2.gz LKJWNZDORICGMD-ZDUSSCGKSA-N 0 1 323.440 4.229 20 10 DICDMN COc1ccc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1F ZINC000756539358 1046097136 /nfs/dbraw/zinc/09/71/36/1046097136.db2.gz MLQVHRVUGZCARO-LLVKDONJSA-N 0 1 323.795 4.087 20 10 DICDMN CCN(C)c1ccccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756555051 1046097762 /nfs/dbraw/zinc/09/77/62/1046097762.db2.gz RMGNLTQDQZOERN-CYBMUJFWSA-N 0 1 318.848 4.353 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001138129649 1046104699 /nfs/dbraw/zinc/10/46/99/1046104699.db2.gz PJJPUAHOGCNJDK-LBPRGKRZSA-N 0 1 319.807 4.347 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001138129916 1046106357 /nfs/dbraw/zinc/10/63/57/1046106357.db2.gz ZGMYZQMDQXZCKO-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN [O-]c1c(F)cccc1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001138128553 1046106632 /nfs/dbraw/zinc/10/66/32/1046106632.db2.gz RCTCETVHVANYKU-UHFFFAOYSA-N 0 1 314.404 4.261 20 10 DICDMN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000756613498 1046110215 /nfs/dbraw/zinc/11/02/15/1046110215.db2.gz PSDNCXLINMSJHP-XFBWCDHKSA-N 0 1 309.837 4.044 20 10 DICDMN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000756663505 1046117725 /nfs/dbraw/zinc/11/77/25/1046117725.db2.gz JWHFBAJKMUNNDO-URLQWDBASA-N 0 1 313.441 4.400 20 10 DICDMN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000756663503 1046118234 /nfs/dbraw/zinc/11/82/34/1046118234.db2.gz JWHFBAJKMUNNDO-GMBSWORKSA-N 0 1 313.441 4.400 20 10 DICDMN CSc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000756664722 1046118289 /nfs/dbraw/zinc/11/82/89/1046118289.db2.gz PGBOFXHYBMOSNI-JTQLQIEISA-N 0 1 308.834 4.013 20 10 DICDMN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756684659 1046119525 /nfs/dbraw/zinc/11/95/25/1046119525.db2.gz PESBLSZQVLZACI-BLLLJJGKSA-N 0 1 317.816 4.447 20 10 DICDMN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756737621 1046125331 /nfs/dbraw/zinc/12/53/31/1046125331.db2.gz WPYDPHRRXGMPMP-AHIWAGSCSA-N 0 1 311.853 4.147 20 10 DICDMN CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000756762033 1046128038 /nfs/dbraw/zinc/12/80/38/1046128038.db2.gz VZYBMMZPPZLQAK-UKRRQHHQSA-N 0 1 321.436 4.266 20 10 DICDMN C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cc(Cl)ccc1[O-] ZINC000756757741 1046128232 /nfs/dbraw/zinc/12/82/32/1046128232.db2.gz BJCXBNQDCDMTEO-LKFCYVNXSA-N 0 1 324.207 4.483 20 10 DICDMN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756785070 1046133526 /nfs/dbraw/zinc/13/35/26/1046133526.db2.gz RWEBTLXDNGDBKW-GTNSWQLSSA-N 0 1 302.805 4.243 20 10 DICDMN COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756785031 1046134145 /nfs/dbraw/zinc/13/41/45/1046134145.db2.gz RRBBQKOINSTQRS-ZIAGYGMSSA-N 0 1 317.404 4.069 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000083552352 1046137442 /nfs/dbraw/zinc/13/74/42/1046137442.db2.gz MMSGRUZCZPTEGG-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000083552300 1046137546 /nfs/dbraw/zinc/13/75/46/1046137546.db2.gz FROWFXYHROFSNM-UHFFFAOYSA-N 0 1 315.722 4.354 20 10 DICDMN Cc1csc(C2(N[C@@H](C)c3ccc(C)cc3O)CCC2)n1 ZINC000756820650 1046140206 /nfs/dbraw/zinc/14/02/06/1046140206.db2.gz JTPRQTHAHSQERY-ZDUSSCGKSA-N 0 1 302.443 4.196 20 10 DICDMN Cc1csc(C2(N[C@H](C)c3ccc(C)cc3O)CCC2)n1 ZINC000756820648 1046140568 /nfs/dbraw/zinc/14/05/68/1046140568.db2.gz JTPRQTHAHSQERY-CYBMUJFWSA-N 0 1 302.443 4.196 20 10 DICDMN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000756873750 1046147261 /nfs/dbraw/zinc/14/72/61/1046147261.db2.gz JKKBQHWYWLTMFZ-NWANDNLSSA-N 0 1 311.853 4.290 20 10 DICDMN C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(Cl)cc1[O-] ZINC000903183065 1046185731 /nfs/dbraw/zinc/18/57/31/1046185731.db2.gz ZMYPOJFAQHEJAC-LBPRGKRZSA-N 0 1 316.832 4.170 20 10 DICDMN Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000757615842 1046193027 /nfs/dbraw/zinc/19/30/27/1046193027.db2.gz ZKPHQHBTSCKACM-GFCCVEGCSA-N 0 1 320.383 4.214 20 10 DICDMN Cc1ccc([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c(O)c1C ZINC000757663097 1046199961 /nfs/dbraw/zinc/19/99/61/1046199961.db2.gz HTBFDRFMYWMKTH-XHDPSFHLSA-N 0 1 319.351 4.072 20 10 DICDMN C[C@H]([NH2+]CCN1CCCCCC1)c1ccc2ccccc2c1[O-] ZINC000321196599 1046213096 /nfs/dbraw/zinc/21/30/96/1046213096.db2.gz WTTZCRTZJQKCLP-INIZCTEOSA-N 0 1 312.457 4.072 20 10 DICDMN CC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cc(Cl)ccc1[O-] ZINC000903283633 1046222983 /nfs/dbraw/zinc/22/29/83/1046222983.db2.gz RZTOSNRYBZKWOA-AAPKZHPUSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903336089 1046247912 /nfs/dbraw/zinc/24/79/12/1046247912.db2.gz VWIIFCCVLQBSIG-DIFFPNOSSA-N 0 1 302.805 4.243 20 10 DICDMN CC[N@@H+](Cc1cccn1-c1ccccc1F)Cc1ccccc1O ZINC001138633286 1046249877 /nfs/dbraw/zinc/24/98/77/1046249877.db2.gz TZMYUBSQOYKIIG-UHFFFAOYSA-N 0 1 324.399 4.344 20 10 DICDMN Cc1ncccc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000903415123 1046271247 /nfs/dbraw/zinc/27/12/47/1046271247.db2.gz HNGBYDJFBDSDOQ-OAHLLOKOSA-N 0 1 306.409 4.142 20 10 DICDMN CCc1cnc(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000758455983 1046272437 /nfs/dbraw/zinc/27/24/37/1046272437.db2.gz YOLYQBBOWFBALE-UHFFFAOYSA-N 0 1 303.214 4.330 20 10 DICDMN Cc1cccc(Cl)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138721900 1046278109 /nfs/dbraw/zinc/27/81/09/1046278109.db2.gz KRUCBNBVKAGBPP-UHFFFAOYSA-N 0 1 317.816 4.008 20 10 DICDMN CC[C@H]1C[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000780758442 1046403389 /nfs/dbraw/zinc/40/33/89/1046403389.db2.gz RVVVWIPNLPGNQJ-APWZRJJASA-N 0 1 317.473 4.342 20 10 DICDMN CC[C@H]1C[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000780758442 1046403394 /nfs/dbraw/zinc/40/33/94/1046403394.db2.gz RVVVWIPNLPGNQJ-APWZRJJASA-N 0 1 317.473 4.342 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686004 1046498956 /nfs/dbraw/zinc/49/89/56/1046498956.db2.gz JGYJMDZMSWMTER-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1O ZINC000359974141 1046529474 /nfs/dbraw/zinc/52/94/74/1046529474.db2.gz NFAZUCYTXCJCGK-VLIAUNLRSA-N 0 1 322.383 4.367 20 10 DICDMN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1O ZINC000359974142 1046529809 /nfs/dbraw/zinc/52/98/09/1046529809.db2.gz NFAZUCYTXCJCGK-XOBRGWDASA-N 0 1 322.383 4.367 20 10 DICDMN COc1cccc([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)c1 ZINC001140055019 1046576759 /nfs/dbraw/zinc/57/67/59/1046576759.db2.gz DSGFKTYLQJYAJX-SFHVURJKSA-N 0 1 315.388 4.267 20 10 DICDMN CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746302 1046605011 /nfs/dbraw/zinc/60/50/11/1046605011.db2.gz XVNGKWBJQDZUQV-GFCCVEGCSA-N 0 1 305.805 4.295 20 10 DICDMN Oc1cccc2c1C[N@@H+](Cc1ccc(-c3ccncc3)cc1)CC2 ZINC001140171322 1046605653 /nfs/dbraw/zinc/60/56/53/1046605653.db2.gz MAUOVFVWFKJHHY-UHFFFAOYSA-N 0 1 316.404 4.013 20 10 DICDMN Cc1ccc(C)c(CN(C)Cc2nc3ccccc3s2)c1O ZINC001140178313 1046610034 /nfs/dbraw/zinc/61/00/34/1046610034.db2.gz HTKRMBVXOCAEFE-UHFFFAOYSA-N 0 1 312.438 4.251 20 10 DICDMN CO[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000783603548 1046613353 /nfs/dbraw/zinc/61/33/53/1046613353.db2.gz SPJBSRRNWZSRFZ-LJQANCHMSA-N 0 1 311.425 4.060 20 10 DICDMN CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093338808 1046622406 /nfs/dbraw/zinc/62/24/06/1046622406.db2.gz JIZTVPXXOUAMSN-UHFFFAOYSA-N 0 1 311.212 4.116 20 10 DICDMN Cc1ccc([C@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)cc1 ZINC000784023716 1046652179 /nfs/dbraw/zinc/65/21/79/1046652179.db2.gz RQNDWKGATZSWJJ-SFHVURJKSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1ccc([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)cc1 ZINC000784023716 1046652188 /nfs/dbraw/zinc/65/21/88/1046652188.db2.gz RQNDWKGATZSWJJ-SFHVURJKSA-N 0 1 318.420 4.238 20 10 DICDMN CC(C)c1csc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841758266 1046664534 /nfs/dbraw/zinc/66/45/34/1046664534.db2.gz KXSYDYFCFFQRKT-SNVBAGLBSA-N 0 1 310.850 4.476 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001140341248 1046666695 /nfs/dbraw/zinc/66/66/95/1046666695.db2.gz GJFHOQPKCVQYQK-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001140341248 1046666699 /nfs/dbraw/zinc/66/66/99/1046666699.db2.gz GJFHOQPKCVQYQK-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001140342540 1046667958 /nfs/dbraw/zinc/66/79/58/1046667958.db2.gz OIZCIDNTDCIHEF-UHFFFAOYSA-N 0 1 317.816 4.131 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140344946 1046668423 /nfs/dbraw/zinc/66/84/23/1046668423.db2.gz NYDDGCNCWCXEBG-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140344946 1046668429 /nfs/dbraw/zinc/66/84/29/1046668429.db2.gz NYDDGCNCWCXEBG-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN Cc1ccccc1O[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140341962 1046668892 /nfs/dbraw/zinc/66/88/92/1046668892.db2.gz NBMNHFPNBCRSPU-AWEZNQCLSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140341962 1046668899 /nfs/dbraw/zinc/66/88/99/1046668899.db2.gz NBMNHFPNBCRSPU-AWEZNQCLSA-N 0 1 317.816 4.007 20 10 DICDMN C[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccc(Cl)cc1O ZINC000841757804 1046669934 /nfs/dbraw/zinc/66/99/34/1046669934.db2.gz QEIFDUIUHRVSOK-RKDXNWHRSA-N 0 1 312.747 4.131 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1cc(Cl)ccc1[O-] ZINC000834894916 1046705495 /nfs/dbraw/zinc/70/54/95/1046705495.db2.gz MZEIYJPMINWMEX-FZMZJTMJSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@H](N[C@@H](C)c1nccn1CC)c1cc(Cl)ccc1O ZINC000834894916 1046705508 /nfs/dbraw/zinc/70/55/08/1046705508.db2.gz MZEIYJPMINWMEX-FZMZJTMJSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908822 1046715424 /nfs/dbraw/zinc/71/54/24/1046715424.db2.gz HMLCIVDTDTYWGY-WFASDCNBSA-N 0 1 311.853 4.292 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000834908629 1046717639 /nfs/dbraw/zinc/71/76/39/1046717639.db2.gz GTVXEOMJUMBOLU-STQMWFEESA-N 0 1 311.853 4.210 20 10 DICDMN COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461900 1046734871 /nfs/dbraw/zinc/73/48/71/1046734871.db2.gz XERAKLOHQZGGFJ-ZDUSSCGKSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461900 1046734885 /nfs/dbraw/zinc/73/48/85/1046734885.db2.gz XERAKLOHQZGGFJ-ZDUSSCGKSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461899 1046736584 /nfs/dbraw/zinc/73/65/84/1046736584.db2.gz XERAKLOHQZGGFJ-CYBMUJFWSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461899 1046736596 /nfs/dbraw/zinc/73/65/96/1046736596.db2.gz XERAKLOHQZGGFJ-CYBMUJFWSA-N 0 1 317.816 4.044 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001140466247 1046737358 /nfs/dbraw/zinc/73/73/58/1046737358.db2.gz CLJNRECLSHLBHZ-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001140466247 1046737373 /nfs/dbraw/zinc/73/73/73/1046737373.db2.gz CLJNRECLSHLBHZ-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001140465101 1046737445 /nfs/dbraw/zinc/73/74/45/1046737445.db2.gz HGKDFSQYXICBGO-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001140465101 1046737457 /nfs/dbraw/zinc/73/74/57/1046737457.db2.gz HGKDFSQYXICBGO-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000797071754 1046786431 /nfs/dbraw/zinc/78/64/31/1046786431.db2.gz VDNMSCHQYCSCFQ-NSHDSACASA-N 0 1 307.743 4.429 20 10 DICDMN Cc1ccc(O)c(CN(Cc2ccccc2)Cc2cccnc2)c1 ZINC001140620997 1046814615 /nfs/dbraw/zinc/81/46/15/1046814615.db2.gz KZPOBUYLFQQGDS-UHFFFAOYSA-N 0 1 318.420 4.298 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCCC(F)(F)CC2)c(Cl)c1 ZINC001140921985 1046950574 /nfs/dbraw/zinc/95/05/74/1046950574.db2.gz YXMAZYXOTXKRFI-UHFFFAOYSA-N 0 1 302.796 4.027 20 10 DICDMN CN(C)c1ccc(CN2CCCC(F)(F)CC2)c(Cl)c1 ZINC001140921985 1046950580 /nfs/dbraw/zinc/95/05/80/1046950580.db2.gz YXMAZYXOTXKRFI-UHFFFAOYSA-N 0 1 302.796 4.027 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC1(F)F ZINC001140921668 1046950655 /nfs/dbraw/zinc/95/06/55/1046950655.db2.gz MGYCHMCKGOBPQB-LBPRGKRZSA-N 0 1 316.823 4.273 20 10 DICDMN Cc1ccc(CN2CCc3cccc(C(F)(F)F)c3C2)c(O)c1 ZINC001140958243 1046962022 /nfs/dbraw/zinc/96/20/22/1046962022.db2.gz VKJDUQOEANKBHZ-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN Cc1csc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000387767470 1047285748 /nfs/dbraw/zinc/28/57/48/1047285748.db2.gz BLJXBVOSQQDSCH-ZDUSSCGKSA-N 0 1 312.438 4.204 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1O ZINC000388481524 1047286561 /nfs/dbraw/zinc/28/65/61/1047286561.db2.gz BCFRFRVFSDIHTK-INIZCTEOSA-N 0 1 317.816 4.174 20 10 DICDMN C[C@H](NCc1ccsc1Br)c1ccccc1O ZINC000388547636 1047286743 /nfs/dbraw/zinc/28/67/43/1047286743.db2.gz JEXUWVITWBMZAZ-VIFPVBQESA-N 0 1 312.232 4.067 20 10 DICDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001142520469 1047292017 /nfs/dbraw/zinc/29/20/17/1047292017.db2.gz KBEORLCYBBITHG-UHFFFAOYSA-N 0 1 307.384 4.071 20 10 DICDMN CSc1cccc(F)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000796448584 1047293886 /nfs/dbraw/zinc/29/38/86/1047293886.db2.gz IJPQQROWBYSEPC-UHFFFAOYSA-N 0 1 322.424 4.043 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC001118489838 1047299474 /nfs/dbraw/zinc/29/94/74/1047299474.db2.gz WHGQWCVQLTZEID-PCGAWMICSA-N 0 1 315.791 4.438 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2ncccc2F)c1O ZINC000528038027 1047300730 /nfs/dbraw/zinc/30/07/30/1047300730.db2.gz OLFOBDXQWWFZAQ-MNOVXSKESA-N 0 1 308.784 4.300 20 10 DICDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527139 1047308989 /nfs/dbraw/zinc/30/89/89/1047308989.db2.gz MAIGCLDIEDAIKI-QGZVFWFLSA-N 0 1 303.352 4.180 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001142527125 1047309858 /nfs/dbraw/zinc/30/98/58/1047309858.db2.gz LLRRYOWPKZVKKS-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN Cc1cc(CNCc2ncccc2C)c(C)n1-c1cccc(C)c1 ZINC001118883032 1047315520 /nfs/dbraw/zinc/31/55/20/1047315520.db2.gz XUBSZYISUWTYTJ-UHFFFAOYSA-N 0 1 319.452 4.396 20 10 DICDMN C[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)CC(F)(F)F ZINC000840874353 1047351669 /nfs/dbraw/zinc/35/16/69/1047351669.db2.gz YPHWBEABRZEPEI-ATZCPNFKSA-N 0 1 305.315 4.258 20 10 DICDMN COCC1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000840882531 1047353051 /nfs/dbraw/zinc/35/30/51/1047353051.db2.gz WFJFFCLWJFGFKQ-HPUBIQBYSA-N 0 1 313.441 4.401 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC000840910450 1047358877 /nfs/dbraw/zinc/35/88/77/1047358877.db2.gz MUWMKVRGWKTQNX-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC000840910450 1047358887 /nfs/dbraw/zinc/35/88/87/1047358887.db2.gz MUWMKVRGWKTQNX-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1nc(C(C)(C)NCc2ccc(N(C)C)cc2C)sc1C ZINC000840934503 1047361528 /nfs/dbraw/zinc/36/15/28/1047361528.db2.gz QZCABVMFZJIBFN-UHFFFAOYSA-N 0 1 317.502 4.159 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](C)c2nccs2)c(Cl)c1 ZINC000840940363 1047363871 /nfs/dbraw/zinc/36/38/71/1047363871.db2.gz ZCXLGDCGPJFWTL-LLVKDONJSA-N 0 1 310.850 4.046 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H](C)c2nccs2)c(Cl)c1 ZINC000840940363 1047363888 /nfs/dbraw/zinc/36/38/88/1047363888.db2.gz ZCXLGDCGPJFWTL-LLVKDONJSA-N 0 1 310.850 4.046 20 10 DICDMN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841744253 1047447266 /nfs/dbraw/zinc/44/72/66/1047447266.db2.gz GNDLQHCFWOBNGZ-NEPJUHHUSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1[O-] ZINC000841748276 1047448212 /nfs/dbraw/zinc/44/82/12/1047448212.db2.gz JTXRNQRQHTVMGZ-ZUZCIYMTSA-N 0 1 321.779 4.359 20 10 DICDMN CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745393 1047448716 /nfs/dbraw/zinc/44/87/16/1047448716.db2.gz YXGMTHWKQVUCLD-ZDUSSCGKSA-N 0 1 319.832 4.433 20 10 DICDMN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744187 1047448790 /nfs/dbraw/zinc/44/87/90/1047448790.db2.gz MSJBCFCDSKSZKP-NEPJUHHUSA-N 0 1 305.805 4.466 20 10 DICDMN COc1ccc(C2([NH2+][C@@H](C)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000841751109 1047450060 /nfs/dbraw/zinc/45/00/60/1047450060.db2.gz WQFDYTRFNHUTJO-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])CO2 ZINC000841751122 1047450084 /nfs/dbraw/zinc/45/00/84/1047450084.db2.gz KVVQIWWRHBFGIO-IAQYHMDHSA-N 0 1 303.789 4.138 20 10 DICDMN COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751807 1047451358 /nfs/dbraw/zinc/45/13/58/1047451358.db2.gz KPJCAABZXFRXSB-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000841751967 1047452072 /nfs/dbraw/zinc/45/20/72/1047452072.db2.gz POESKRASBCOJAC-YMTOWFKASA-N 0 1 308.809 4.452 20 10 DICDMN COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760599 1047453436 /nfs/dbraw/zinc/45/34/36/1047453436.db2.gz SYCCRRZIVDXZAP-MEDUHNTESA-N 0 1 317.816 4.392 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001142521074 1047465369 /nfs/dbraw/zinc/46/53/69/1047465369.db2.gz WPPWTYPLLNDYSO-AWEZNQCLSA-N 0 1 303.352 4.050 20 10 DICDMN CCN(C)c1ccc([C@H](C)NC2(c3ccccc3OC)CC2)cc1 ZINC000842900091 1047512723 /nfs/dbraw/zinc/51/27/23/1047512723.db2.gz FHSSBRHZEAVPSA-INIZCTEOSA-N 0 1 324.468 4.491 20 10 DICDMN CC[C@@H]([NH2+]Cc1ncc(C)cc1C)c1cc(Cl)ccc1[O-] ZINC000926960546 1047641701 /nfs/dbraw/zinc/64/17/01/1047641701.db2.gz OXZXVGXJJRVECK-OAHLLOKOSA-N 0 1 304.821 4.298 20 10 DICDMN Nc1ccc(Cc2ccccc2Nc2ccc3c[nH]nc3c2)cc1 ZINC001174501421 1047870654 /nfs/dbraw/zinc/87/06/54/1047870654.db2.gz ROQHVNPABYBMLO-UHFFFAOYSA-N 0 1 314.392 4.480 20 10 DICDMN Nc1ccc(N(Cc2ccccc2)c2ccc3c[nH]nc3c2)cc1 ZINC001174501345 1047871674 /nfs/dbraw/zinc/87/16/74/1047871674.db2.gz OCCJYMNHBSHQQK-UHFFFAOYSA-N 0 1 314.392 4.483 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc(Cl)cn1 ZINC000479433402 1047887069 /nfs/dbraw/zinc/88/70/69/1047887069.db2.gz ARAOUMJYRJKMHD-CYBMUJFWSA-N 0 1 313.832 4.386 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1OC ZINC001183444616 1047929414 /nfs/dbraw/zinc/92/94/14/1047929414.db2.gz OVMAKRQQNBSALY-OAHLLOKOSA-N 0 1 305.805 4.295 20 10 DICDMN COc1ccc(N(c2ccc(N)cc2)c2ccnc(C)c2)cc1 ZINC001174656767 1047937569 /nfs/dbraw/zinc/93/75/69/1047937569.db2.gz UPCYGWCDHQLOJO-UHFFFAOYSA-N 0 1 305.381 4.451 20 10 DICDMN C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203574248 1047954355 /nfs/dbraw/zinc/95/43/55/1047954355.db2.gz RECBVXIBSBOSKK-AWEZNQCLSA-N 0 1 306.208 4.413 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1Cl ZINC001183674153 1047955740 /nfs/dbraw/zinc/95/57/40/1047955740.db2.gz VMKBFCGZLGHJRK-ZDUSSCGKSA-N 0 1 301.817 4.473 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cc1Cl ZINC001183674153 1047955746 /nfs/dbraw/zinc/95/57/46/1047955746.db2.gz VMKBFCGZLGHJRK-ZDUSSCGKSA-N 0 1 301.817 4.473 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000776012414 1048086761 /nfs/dbraw/zinc/08/67/61/1048086761.db2.gz GPRJIEABSWTADS-KOLCDFICSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013771 1048089337 /nfs/dbraw/zinc/08/93/37/1048089337.db2.gz OFOWCYOZAOIYDA-JOYOIKCWSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013771 1048089353 /nfs/dbraw/zinc/08/93/53/1048089353.db2.gz OFOWCYOZAOIYDA-JOYOIKCWSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000776013664 1048090327 /nfs/dbraw/zinc/09/03/27/1048090327.db2.gz MXCBWDZYUQZNPQ-DGCLKSJQSA-N 0 1 318.358 4.055 20 10 DICDMN Cc1cc2cc(CNCc3ccc4c(c3)CCO4)oc2cc1C ZINC001199934159 1048123678 /nfs/dbraw/zinc/12/36/78/1048123678.db2.gz QERWXIFVPWQPJL-UHFFFAOYSA-N 0 1 307.393 4.274 20 10 DICDMN Cc1ccccc1/N=N/c1ccc(NC(=O)C2CN(C)C2)c(C)c1 ZINC001142599339 1048172470 /nfs/dbraw/zinc/17/24/70/1048172470.db2.gz UKBHRJPOYAMOCS-QURGRASLSA-N 0 1 322.412 4.219 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(F)cc2C)c(Cl)c1 ZINC001200999737 1048177212 /nfs/dbraw/zinc/17/72/12/1048177212.db2.gz ZRRYZZRYJJIDKB-UHFFFAOYSA-N 0 1 307.796 4.134 20 10 DICDMN Cc1ccc2[nH]ncc2c1Nc1nc(-c2ccncc2)cs1 ZINC001175524272 1048352920 /nfs/dbraw/zinc/35/29/20/1048352920.db2.gz APKQTUDYNMFGPQ-UHFFFAOYSA-N 0 1 307.382 4.133 20 10 DICDMN Cc1cccc(CN[C@@H]2COc3c2ccc(Cl)c3Cl)c1O ZINC000776223892 1048391717 /nfs/dbraw/zinc/39/17/17/1048391717.db2.gz NEFKOYGJJJGGHC-CYBMUJFWSA-N 0 1 324.207 4.231 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)c1[O-] ZINC001175610141 1048394063 /nfs/dbraw/zinc/39/40/63/1048394063.db2.gz FSAQOJCBIPGRPM-OAHLLOKOSA-N 0 1 319.420 4.136 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1[O-] ZINC001175610141 1048394079 /nfs/dbraw/zinc/39/40/79/1048394079.db2.gz FSAQOJCBIPGRPM-OAHLLOKOSA-N 0 1 319.420 4.136 20 10 DICDMN CN(C)c1ccc(/C=C\CNCc2ccc(Cl)cc2F)cc1 ZINC001202093447 1048447575 /nfs/dbraw/zinc/44/75/75/1048447575.db2.gz VGUSJYDJSASBNT-ARJAWSKDSA-N 0 1 318.823 4.348 20 10 DICDMN COc1ccnc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001163488462 1048477869 /nfs/dbraw/zinc/47/78/69/1048477869.db2.gz ZUKYEAPHXBELCR-GOSISDBHSA-N 0 1 312.413 4.148 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(F)c1F ZINC000776305165 1048562066 /nfs/dbraw/zinc/56/20/66/1048562066.db2.gz DBZFFNDOEQJHBE-CYBMUJFWSA-N 0 1 316.395 4.198 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cccc(F)c1F ZINC000776309313 1048563603 /nfs/dbraw/zinc/56/36/03/1048563603.db2.gz BLISFCQEPTUSJJ-ZDUSSCGKSA-N 0 1 304.384 4.190 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000850481072 1048669779 /nfs/dbraw/zinc/66/97/79/1048669779.db2.gz HEHBPUGJNUEYOD-HOCLYGCPSA-N 0 1 312.457 4.069 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000850482373 1048671368 /nfs/dbraw/zinc/67/13/68/1048671368.db2.gz OVMTWXJUODDKGZ-SWLSCSKDSA-N 0 1 304.821 4.285 20 10 DICDMN Cc1ccncc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000850505946 1048672739 /nfs/dbraw/zinc/67/27/39/1048672739.db2.gz DPMSNFPGUWIYKH-HNNXBMFYSA-N 0 1 306.409 4.142 20 10 DICDMN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1cscn1 ZINC000850512235 1048675451 /nfs/dbraw/zinc/67/54/51/1048675451.db2.gz YUQOPAVSJYISBH-RYUDHWBXSA-N 0 1 302.443 4.139 20 10 DICDMN CC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850527543 1048680839 /nfs/dbraw/zinc/68/08/39/1048680839.db2.gz GUQCHYDSZQSAHG-BQFCYCMXSA-N 0 1 317.816 4.265 20 10 DICDMN COCc1csc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000850531814 1048684453 /nfs/dbraw/zinc/68/44/53/1048684453.db2.gz HTEIPEHKVNAZEP-JTQLQIEISA-N 0 1 311.834 4.104 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543539 1048687210 /nfs/dbraw/zinc/68/72/10/1048687210.db2.gz LTNLZIWUMVUJAZ-HWPZZCPQSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc2ccccc2c1[O-] ZINC000850553098 1048689204 /nfs/dbraw/zinc/68/92/04/1048689204.db2.gz RSBLZAZPVFMOCD-NHYWBVRUSA-N 0 1 305.368 4.487 20 10 DICDMN C[C@@H]([NH2+]CCCc1ccco1)c1cc(Br)ccc1[O-] ZINC000850569398 1048696519 /nfs/dbraw/zinc/69/65/19/1048696519.db2.gz CNUWAYJLEHURFG-LLVKDONJSA-N 0 1 324.218 4.031 20 10 DICDMN COc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1C ZINC000850578566 1048699569 /nfs/dbraw/zinc/69/95/69/1048699569.db2.gz NIAKYNCBNVIXFQ-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN COCCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCCC1 ZINC000775373309 1048717798 /nfs/dbraw/zinc/71/77/98/1048717798.db2.gz CAZPVXOTAASFOQ-UHFFFAOYSA-N 0 1 311.853 4.122 20 10 DICDMN C[N@@H+](Cc1ccccc1O)Cc1ccc(Cl)c2cccnc12 ZINC000109772705 1048743383 /nfs/dbraw/zinc/74/33/83/1048743383.db2.gz KPKLOAVOJFXGAT-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN Cc1nocc1CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000851878901 1048808966 /nfs/dbraw/zinc/80/89/66/1048808966.db2.gz DDWZOAWUNYYZLS-INIZCTEOSA-N 0 1 322.408 4.452 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(Cl)s2)c(Cl)c1 ZINC001177162299 1048840044 /nfs/dbraw/zinc/84/00/44/1048840044.db2.gz KVWSJBQVVVXVFB-UHFFFAOYSA-N 0 1 302.226 4.359 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2(c3ccccc3)CC2)c(Cl)c1 ZINC001177231419 1048852887 /nfs/dbraw/zinc/85/28/87/1048852887.db2.gz PMAZWCBTLXXXPH-UHFFFAOYSA-N 0 1 301.817 4.175 20 10 DICDMN Oc1ccccc1CN1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001203556207 1048926393 /nfs/dbraw/zinc/92/63/93/1048926393.db2.gz OCICEYGHHMRFIM-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN COc1cccc(CN2CCC[C@H]2c2c(F)cccc2F)c1O ZINC001203599612 1048940167 /nfs/dbraw/zinc/94/01/67/1048940167.db2.gz JTWURTBPEFBYDL-HNNXBMFYSA-N 0 1 319.351 4.016 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001203664370 1048952968 /nfs/dbraw/zinc/95/29/68/1048952968.db2.gz BTXXJUSGZSQTJH-UHFFFAOYSA-N 0 1 317.816 4.131 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1[O-] ZINC000775492263 1049012961 /nfs/dbraw/zinc/01/29/61/1049012961.db2.gz ORFOXQIMOVQOSI-CQSZACIVSA-N 0 1 319.788 4.015 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497851 1049031430 /nfs/dbraw/zinc/03/14/30/1049031430.db2.gz WSMQIGJHHRNTNM-GXFFZTMASA-N 0 1 319.276 4.080 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@H]2c2c(F)cccc2F)cc1 ZINC001203936476 1049034534 /nfs/dbraw/zinc/03/45/34/1049034534.db2.gz HCJRCTCXDRITDS-SFHVURJKSA-N 0 1 316.395 4.368 20 10 DICDMN CC[C@H]([NH2+]CCc1ccccc1O)c1cc(Cl)ccc1[O-] ZINC000775500505 1049041851 /nfs/dbraw/zinc/04/18/51/1049041851.db2.gz KSFOGPYRWSVVNK-HNNXBMFYSA-N 0 1 305.805 4.035 20 10 DICDMN CC[C@@H]([NH2+]CCCOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000775500463 1049041913 /nfs/dbraw/zinc/04/19/13/1049041913.db2.gz PNJWNFUOVSIPDO-MRXNPFEDSA-N 0 1 311.853 4.436 20 10 DICDMN CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775513341 1049050065 /nfs/dbraw/zinc/05/00/65/1049050065.db2.gz XKRCSLWXSVIHMD-WBMJQRKESA-N 0 1 304.821 4.113 20 10 DICDMN CC[C@H]([NH2+]CCCc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775513626 1049050165 /nfs/dbraw/zinc/05/01/65/1049050165.db2.gz SGWPHBXUYXXETP-INIZCTEOSA-N 0 1 322.836 4.324 20 10 DICDMN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512454 1049056177 /nfs/dbraw/zinc/05/61/77/1049056177.db2.gz PRNFZSZMDKRQFI-XIRDDKMYSA-N 0 1 311.853 4.028 20 10 DICDMN CC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775511621 1049056462 /nfs/dbraw/zinc/05/64/62/1049056462.db2.gz FRZFPLOEPBVLDI-IRXDYDNUSA-N 0 1 319.832 4.128 20 10 DICDMN Cc1ccc(F)c(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC001178731680 1049078781 /nfs/dbraw/zinc/07/87/81/1049078781.db2.gz UWVJJJQBKQSFRG-UHFFFAOYSA-N 0 1 307.796 4.134 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775522769 1049082695 /nfs/dbraw/zinc/08/26/95/1049082695.db2.gz ZWJSHNZVISMISO-FUHWJXTLSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+]CCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775522577 1049083516 /nfs/dbraw/zinc/08/35/16/1049083516.db2.gz VAOBNYWUOHWZEG-INIZCTEOSA-N 0 1 304.821 4.114 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccncc1C)c1cc(Cl)ccc1[O-] ZINC000775524017 1049085088 /nfs/dbraw/zinc/08/50/88/1049085088.db2.gz ONENGEDREZVPTC-MRXNPFEDSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775527688 1049096827 /nfs/dbraw/zinc/09/68/27/1049096827.db2.gz SMVYBSWEISVLDL-HZPDHXFCSA-N 0 1 311.853 4.028 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CC=CCC2)c1[O-] ZINC001192471930 1049102565 /nfs/dbraw/zinc/10/25/65/1049102565.db2.gz SZWJNQRGBTXWIQ-ZDUSSCGKSA-N 0 1 307.821 4.036 20 10 DICDMN F[C@@]1(c2ccccc2)C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001178998959 1049120395 /nfs/dbraw/zinc/12/03/95/1049120395.db2.gz VBYRBCSUIXAPGI-WOJBJXKFSA-N 0 1 310.416 4.014 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccco2)C1 ZINC001204270101 1049125488 /nfs/dbraw/zinc/12/54/88/1049125488.db2.gz IWQFVCZVRIZATP-XHDPSFHLSA-N 0 1 307.340 4.237 20 10 DICDMN CC[C@@H](NCc1cc(OC)ccc1F)c1ccc(N(C)C)cc1 ZINC000857081399 1049125837 /nfs/dbraw/zinc/12/58/37/1049125837.db2.gz OGYHUQBEDFFVTN-LJQANCHMSA-N 0 1 316.420 4.141 20 10 DICDMN C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000857082561 1049127874 /nfs/dbraw/zinc/12/78/74/1049127874.db2.gz OMRWDRQHJIVUST-DTWKUNHWSA-N 0 1 308.636 4.280 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cc(Cl)ccc1[O-] ZINC000775546183 1049134683 /nfs/dbraw/zinc/13/46/83/1049134683.db2.gz FYLYGIVCDRDEBZ-ZUZCIYMTSA-N 0 1 308.784 4.382 20 10 DICDMN CC[C@@H]([NH2+][C@H](CCOC)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775546769 1049136617 /nfs/dbraw/zinc/13/66/17/1049136617.db2.gz KZOUZXZWDBSWCI-HUUCEWRRSA-N 0 1 323.820 4.457 20 10 DICDMN CC[C@H]([NH2+]C[C@H](C)c1nccs1)c1cc(Cl)ccc1[O-] ZINC000775551022 1049142656 /nfs/dbraw/zinc/14/26/56/1049142656.db2.gz GIRYJMNPCIJCGU-GWCFXTLKSA-N 0 1 310.850 4.347 20 10 DICDMN CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775550824 1049142994 /nfs/dbraw/zinc/14/29/94/1049142994.db2.gz CGJKTJWGKSVHKH-WWGRRREGSA-N 0 1 311.853 4.292 20 10 DICDMN CN(Cc1ccccc1O)Cc1c(F)cccc1C(F)(F)F ZINC001204465911 1049168377 /nfs/dbraw/zinc/16/83/77/1049168377.db2.gz LLTIMBBBPFEYFN-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001204681928 1049221628 /nfs/dbraw/zinc/22/16/28/1049221628.db2.gz NHVUFGRWQLLMBI-KBPBESRZSA-N 0 1 317.379 4.357 20 10 DICDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1c1ccccc1 ZINC001204679876 1049221888 /nfs/dbraw/zinc/22/18/88/1049221888.db2.gz BHTBGBMMVCIWHH-GTNSWQLSSA-N 0 1 305.780 4.378 20 10 DICDMN CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001179883298 1049227548 /nfs/dbraw/zinc/22/75/48/1049227548.db2.gz YYKXSTIWAQDDQR-INIZCTEOSA-N 0 1 319.395 4.432 20 10 DICDMN CC(C)c1ccccc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193590352 1049227478 /nfs/dbraw/zinc/22/74/78/1049227478.db2.gz ZIXOELJUBLRYFF-UHFFFAOYSA-N 0 1 305.761 4.127 20 10 DICDMN CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001179883299 1049228953 /nfs/dbraw/zinc/22/89/53/1049228953.db2.gz YYKXSTIWAQDDQR-MRXNPFEDSA-N 0 1 319.395 4.432 20 10 DICDMN Cc1cc(CN[C@@H](C)c2cncc(F)c2)c(C)n1-c1ccccc1 ZINC000858294422 1049237624 /nfs/dbraw/zinc/23/76/24/1049237624.db2.gz YUBJAOJITFFMTG-HNNXBMFYSA-N 0 1 323.415 4.479 20 10 DICDMN 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4.061 20 10 DICDMN Cc1cccc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000736945641 1050497635 /nfs/dbraw/zinc/49/76/35/1050497635.db2.gz QNZKSIOTDCQUDE-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN C[C@@H]1CSCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738278543 1050528260 /nfs/dbraw/zinc/52/82/60/1050528260.db2.gz TZJQFNDXRIRKMW-GFCCVEGCSA-N 0 1 313.422 4.229 20 10 DICDMN C[C@@H]1CSCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000738278543 1050528274 /nfs/dbraw/zinc/52/82/74/1050528274.db2.gz TZJQFNDXRIRKMW-GFCCVEGCSA-N 0 1 313.422 4.229 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C(C)(C)c2ccccc2)c1[O-] ZINC000792928894 1050622129 /nfs/dbraw/zinc/62/21/29/1050622129.db2.gz XIJCMWQUMGYMKA-UHFFFAOYSA-N 0 1 315.388 4.101 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+](C)C(C)(C)c2ccccc2)c1[O-] ZINC000792928894 1050622140 /nfs/dbraw/zinc/62/21/40/1050622140.db2.gz XIJCMWQUMGYMKA-UHFFFAOYSA-N 0 1 315.388 4.101 20 10 DICDMN Cc1cc(O)c(CN(Cc2ccc(F)cc2F)C2CC2)cc1C ZINC000059579863 1050623220 /nfs/dbraw/zinc/62/32/20/1050623220.db2.gz WQEAIYABEQAGLW-UHFFFAOYSA-N 0 1 317.379 4.452 20 10 DICDMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc3ccccc32)C1(C)C ZINC000740863661 1050634877 /nfs/dbraw/zinc/63/48/77/1050634877.db2.gz WCNFQKDMUTWCCJ-RBUKOAKNSA-N 0 1 313.441 4.181 20 10 DICDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1(C)C ZINC000740863661 1050634883 /nfs/dbraw/zinc/63/48/83/1050634883.db2.gz WCNFQKDMUTWCCJ-RBUKOAKNSA-N 0 1 313.441 4.181 20 10 DICDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc3ccccc32)C1(C)C ZINC000740863660 1050635278 /nfs/dbraw/zinc/63/52/78/1050635278.db2.gz WCNFQKDMUTWCCJ-OALUTQOASA-N 0 1 313.441 4.181 20 10 DICDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1(C)C ZINC000740863660 1050635286 /nfs/dbraw/zinc/63/52/86/1050635286.db2.gz WCNFQKDMUTWCCJ-OALUTQOASA-N 0 1 313.441 4.181 20 10 DICDMN COc1ccc(O)c([C@H](C)NCc2ncc(C(C)(C)C)s2)c1 ZINC000845972547 1050638795 /nfs/dbraw/zinc/63/87/95/1050638795.db2.gz RQGXLNYSZGZEFT-NSHDSACASA-N 0 1 320.458 4.006 20 10 DICDMN C[C@H]([NH2+]CC1CCSCC1)c1ccc2ccccc2c1[O-] ZINC000168774211 1050643107 /nfs/dbraw/zinc/64/31/07/1050643107.db2.gz LVHQQDMZODLQMR-ZDUSSCGKSA-N 0 1 301.455 4.339 20 10 DICDMN C[C@@]1(CC[NH2+]Cc2ccc3ccccc3c2[O-])C[C@@]1(F)Cl ZINC000846031586 1050651197 /nfs/dbraw/zinc/65/11/97/1050651197.db2.gz ASJFTTWVPNNFSG-SJORKVTESA-N 0 1 307.796 4.340 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000846055844 1050659647 /nfs/dbraw/zinc/65/96/47/1050659647.db2.gz QDOCDTQZOPLCDT-GUYCJALGSA-N 0 1 316.832 4.257 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000846056804 1050662059 /nfs/dbraw/zinc/66/20/59/1050662059.db2.gz ZXGPHDALRIGLCO-UHFFFAOYSA-N 0 1 323.864 4.406 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)s1 ZINC000227441189 1050674370 /nfs/dbraw/zinc/67/43/70/1050674370.db2.gz RALWFQGINMOGFO-UHFFFAOYSA-N 0 1 302.226 4.093 20 10 DICDMN CCC(CC)c1cc(CN[C@@H](C)c2cccc(OC)c2O)on1 ZINC000846143433 1050684012 /nfs/dbraw/zinc/68/40/12/1050684012.db2.gz BSMDRJGVZBSOEQ-LBPRGKRZSA-N 0 1 318.417 4.143 20 10 DICDMN COc1cccc([C@H](C)NCc2nc(C(C)(C)C)cs2)c1O ZINC000846147089 1050685617 /nfs/dbraw/zinc/68/56/17/1050685617.db2.gz SMWPBCWOESSSSD-NSHDSACASA-N 0 1 320.458 4.006 20 10 DICDMN CC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189884 1050691265 /nfs/dbraw/zinc/69/12/65/1050691265.db2.gz VQFFPDFIXGUSNB-FUHWJXTLSA-N 0 1 323.864 4.292 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)c1[O-] ZINC000846187616 1050691307 /nfs/dbraw/zinc/69/13/07/1050691307.db2.gz LKZWRCQFVPNSIT-SJKOYZFVSA-N 0 1 323.864 4.210 20 10 DICDMN COc1ccc(CNCc2cc(F)c(Cl)cc2F)cc1C ZINC000788532248 1050702929 /nfs/dbraw/zinc/70/29/29/1050702929.db2.gz PEMGINYICUKTEE-UHFFFAOYSA-N 0 1 311.759 4.225 20 10 DICDMN CCCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000788970346 1050766756 /nfs/dbraw/zinc/76/67/56/1050766756.db2.gz RABHOXQXODIUTO-UHFFFAOYSA-N 0 1 319.832 4.433 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168410283 1050778940 /nfs/dbraw/zinc/77/89/40/1050778940.db2.gz BRNURGQTHMHQMR-HXUWFJFHSA-N 0 1 321.395 4.332 20 10 DICDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC000789588870 1050849138 /nfs/dbraw/zinc/84/91/38/1050849138.db2.gz HXWGGZKXTZIJPH-UHFFFAOYSA-N 0 1 311.212 4.034 20 10 DICDMN C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000790703699 1050986717 /nfs/dbraw/zinc/98/67/17/1050986717.db2.gz UEXDOVUORNEBAB-PXAZEXFGSA-N 0 1 311.853 4.028 20 10 DICDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)ncn1 ZINC000773107002 1051065250 /nfs/dbraw/zinc/06/52/50/1051065250.db2.gz NQSGYPLQTMXRMM-KRWDZBQOSA-N 0 1 324.472 4.016 20 10 DICDMN Oc1cc2ccccc2cc1CNc1cc(OCC2CC2)ccn1 ZINC001171402195 1051089222 /nfs/dbraw/zinc/08/92/22/1051089222.db2.gz INBDKUXYGBKVQJ-UHFFFAOYSA-N 0 1 320.392 4.341 20 10 DICDMN CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000037107938 1051110911 /nfs/dbraw/zinc/11/09/11/1051110911.db2.gz JZXQDYJTEFOIBQ-GFCCVEGCSA-N 0 1 305.805 4.295 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142049 1051113440 /nfs/dbraw/zinc/11/34/40/1051113440.db2.gz GPWTYVPGBBZKIX-JQWIXIFHSA-N 0 1 307.743 4.256 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1Cl ZINC000037233621 1051129485 /nfs/dbraw/zinc/12/94/85/1051129485.db2.gz SWUSYYRFUXFTTG-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000691412429 1051168600 /nfs/dbraw/zinc/16/86/00/1051168600.db2.gz BHMQUSDQBGHAEG-LBPRGKRZSA-N 0 1 320.230 4.314 20 10 DICDMN CCC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000793241499 1051272135 /nfs/dbraw/zinc/27/21/35/1051272135.db2.gz PBZYWYUVODNEEI-SJLPKXTDSA-N 0 1 319.832 4.038 20 10 DICDMN Cc1ccncc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793338878 1051285184 /nfs/dbraw/zinc/28/51/84/1051285184.db2.gz HPISHKAYCHLODE-UHFFFAOYSA-N 0 1 311.212 4.034 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2cnccc2C)cc1F ZINC000793338133 1051285558 /nfs/dbraw/zinc/28/55/58/1051285558.db2.gz CFIAKBRXRROOKN-UHFFFAOYSA-N 0 1 315.436 4.007 20 10 DICDMN CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172345333 1051364696 /nfs/dbraw/zinc/36/46/96/1051364696.db2.gz WOPMNRIPTJPSGN-CABCVRRESA-N 0 1 301.430 4.229 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000749300138 1051408064 /nfs/dbraw/zinc/40/80/64/1051408064.db2.gz WVIKTIJYAIJASE-QGZVFWFLSA-N 0 1 319.857 4.166 20 10 DICDMN CC[C@H](Nc1cnn(CC)c1)c1cc(Cl)cc(Cl)c1O ZINC000806155562 1051759827 /nfs/dbraw/zinc/75/98/27/1051759827.db2.gz ROULPBMRLFGDND-ZDUSSCGKSA-N 0 1 314.216 4.479 20 10 DICDMN C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001168465306 1051884699 /nfs/dbraw/zinc/88/46/99/1051884699.db2.gz QRKKEOJZAGKZNE-CQSZACIVSA-N 0 1 309.384 4.405 20 10 DICDMN CCN(Cc1cnc(C(C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000768131996 1051886689 /nfs/dbraw/zinc/88/66/89/1051886689.db2.gz FTMYGQZYAHHFQB-UHFFFAOYSA-N 0 1 317.502 4.355 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2sccc2C1 ZINC000768234732 1051907465 /nfs/dbraw/zinc/90/74/65/1051907465.db2.gz OGWYUKKYXLSRBS-UHFFFAOYSA-N 0 1 314.237 4.319 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2sccc2C1 ZINC000768234732 1051907474 /nfs/dbraw/zinc/90/74/74/1051907474.db2.gz OGWYUKKYXLSRBS-UHFFFAOYSA-N 0 1 314.237 4.319 20 10 DICDMN CCC[C@H](C)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839508 1051936472 /nfs/dbraw/zinc/93/64/72/1051936472.db2.gz OBRDHLOYMXZMLS-VIFPVBQESA-N 0 1 304.217 4.142 20 10 DICDMN CCC(=CC(=O)NCc1cc(Cl)cc(Cl)c1O)CC ZINC000807840423 1051934090 /nfs/dbraw/zinc/93/40/90/1051934090.db2.gz CBHXBWXCXXPWQF-UHFFFAOYSA-N 0 1 302.201 4.062 20 10 DICDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000807839812 1051936105 /nfs/dbraw/zinc/93/61/05/1051936105.db2.gz RGLBGPWGLRBIRP-SECBINFHSA-N 0 1 316.228 4.142 20 10 DICDMN C=Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807835463 1051937249 /nfs/dbraw/zinc/93/72/49/1051937249.db2.gz FXFXWLQPOGVVLO-UHFFFAOYSA-N 0 1 322.191 4.272 20 10 DICDMN COCc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)o1 ZINC000768541542 1051943228 /nfs/dbraw/zinc/94/32/28/1051943228.db2.gz PFCUFCWYZHRYCC-HNNXBMFYSA-N 0 1 321.804 4.122 20 10 DICDMN COCc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)o1 ZINC000768541542 1051943238 /nfs/dbraw/zinc/94/32/38/1051943238.db2.gz PFCUFCWYZHRYCC-HNNXBMFYSA-N 0 1 321.804 4.122 20 10 DICDMN Cc1cc([C@H]2CCCN2Cc2cc(C(C)C)c(C)cc2O)no1 ZINC000747448592 1051971443 /nfs/dbraw/zinc/97/14/43/1051971443.db2.gz IGPOGZWNROVHMZ-GOSISDBHSA-N 0 1 314.429 4.458 20 10 DICDMN CCN(CC)c1ccc(CN2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000768879786 1051976345 /nfs/dbraw/zinc/97/63/45/1051976345.db2.gz XQQBDIGAWPBWEE-GOSISDBHSA-N 0 1 313.445 4.166 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ncc(Cl)s1 ZINC000808090259 1051976303 /nfs/dbraw/zinc/97/63/03/1051976303.db2.gz WGGLSMSUXANFOU-UHFFFAOYSA-N 0 1 309.605 4.421 20 10 DICDMN CCC[N@H+](Cc1ccccc1O)Cc1c([O-])cccc1Cl ZINC000769200572 1052007277 /nfs/dbraw/zinc/00/72/77/1052007277.db2.gz AEDSQXXLMQMZNA-UHFFFAOYSA-N 0 1 305.805 4.163 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1c([O-])cccc1Cl ZINC000769200572 1052007288 /nfs/dbraw/zinc/00/72/88/1052007288.db2.gz AEDSQXXLMQMZNA-UHFFFAOYSA-N 0 1 305.805 4.163 20 10 DICDMN COc1ccc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000769246229 1052013616 /nfs/dbraw/zinc/01/36/16/1052013616.db2.gz XYMSIPVUOYNGBL-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC000769246229 1052013624 /nfs/dbraw/zinc/01/36/24/1052013624.db2.gz XYMSIPVUOYNGBL-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN CCN(CC)c1ccc(CN2CCC(C(F)F)CC2)cc1F ZINC000769446391 1052055239 /nfs/dbraw/zinc/05/52/39/1052055239.db2.gz NZSOYLUKPKBFQG-UHFFFAOYSA-N 0 1 314.395 4.149 20 10 DICDMN COc1cccc(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c1O ZINC000769466058 1052061453 /nfs/dbraw/zinc/06/14/53/1052061453.db2.gz HFKPILYEMYZQAK-NVXWUHKLSA-N 0 1 311.425 4.087 20 10 DICDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471209 1052064634 /nfs/dbraw/zinc/06/46/34/1052064634.db2.gz QUOPZVDGMGMADD-USXIJHARSA-N 0 1 323.864 4.071 20 10 DICDMN COCCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCC1 ZINC000808703321 1052067020 /nfs/dbraw/zinc/06/70/20/1052067020.db2.gz WPUCYGJZCQSKDD-CYBMUJFWSA-N 0 1 311.853 4.211 20 10 DICDMN CCOCCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808708152 1052071438 /nfs/dbraw/zinc/07/14/38/1052071438.db2.gz INROUBBYODDZBT-CYBMUJFWSA-N 0 1 311.853 4.211 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1[O-] ZINC000808716938 1052075984 /nfs/dbraw/zinc/07/59/84/1052075984.db2.gz AADWMGOSFCSSGY-XJKSGUPXSA-N 0 1 323.864 4.354 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H](O)c1ccccc1 ZINC000808720365 1052078863 /nfs/dbraw/zinc/07/88/63/1052078863.db2.gz UDZLIBHRFCVCGW-BXTJHSDWSA-N 0 1 321.420 4.318 20 10 DICDMN Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000769538797 1052079380 /nfs/dbraw/zinc/07/93/80/1052079380.db2.gz WQVSWYYWBFZEKF-MRXNPFEDSA-N 0 1 304.821 4.111 20 10 DICDMN Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000769538797 1052079392 /nfs/dbraw/zinc/07/93/92/1052079392.db2.gz WQVSWYYWBFZEKF-MRXNPFEDSA-N 0 1 304.821 4.111 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000808720834 1052079535 /nfs/dbraw/zinc/07/95/35/1052079535.db2.gz ZMBMHSQNSDLYLC-ULFGMLNVSA-N 0 1 319.832 4.208 20 10 DICDMN CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808727257 1052084990 /nfs/dbraw/zinc/08/49/90/1052084990.db2.gz FTXFXPGJBOSBLF-BLLLJJGKSA-N 0 1 317.816 4.263 20 10 DICDMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000914784691 1052251680 /nfs/dbraw/zinc/25/16/80/1052251680.db2.gz IIIAZYKSEGSJFK-XJKSGUPXSA-N 0 1 305.462 4.406 20 10 DICDMN CC(C)N(Cc1nc2ccccc2o1)Cc1ccc(N(C)C)cc1 ZINC000917074826 1052690856 /nfs/dbraw/zinc/69/08/56/1052690856.db2.gz HHGUGVTWLUJPRT-UHFFFAOYSA-N 0 1 323.440 4.304 20 10 DICDMN CC[N@H+](Cc1ccccc1C)Cc1c([O-])ccc2ccncc21 ZINC000917436073 1052727225 /nfs/dbraw/zinc/72/72/25/1052727225.db2.gz DUHLHYWCINECSS-UHFFFAOYSA-N 0 1 306.409 4.271 20 10 DICDMN CC[N@@H+](Cc1ccccc1C)Cc1c([O-])ccc2ccncc21 ZINC000917436073 1052727230 /nfs/dbraw/zinc/72/72/30/1052727230.db2.gz DUHLHYWCINECSS-UHFFFAOYSA-N 0 1 306.409 4.271 20 10 DICDMN COc1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000154725753 1052797813 /nfs/dbraw/zinc/79/78/13/1052797813.db2.gz GVXLREPLZDXYGL-UHFFFAOYSA-N 0 1 323.392 4.196 20 10 DICDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(OC[C@@H]2CCC=CO2)=C1 ZINC001227488070 1052995132 /nfs/dbraw/zinc/99/51/32/1052995132.db2.gz CNSUZQLBRYTRMJ-YISVQYQQSA-N 0 1 311.341 4.274 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2cccc(C)c2)c1[O-] ZINC000179597586 1053017497 /nfs/dbraw/zinc/01/74/97/1053017497.db2.gz HZJAQGGSVIUAIU-UHFFFAOYSA-N 0 1 315.388 4.067 20 10 DICDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(N3CCCC3)cc2)o1 ZINC001318339329 1053161937 /nfs/dbraw/zinc/16/19/37/1053161937.db2.gz NNHKMVSUZCNZAJ-HNAYVOBHSA-N 0 1 310.441 4.293 20 10 DICDMN COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC001319825376 1053277695 /nfs/dbraw/zinc/27/76/95/1053277695.db2.gz DFSMJJMIXQRMOD-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(Cl)ccc1[O-] ZINC001321022759 1053383225 /nfs/dbraw/zinc/38/32/25/1053383225.db2.gz IDKYAWOEDMIDCM-LBPRGKRZSA-N 0 1 301.817 4.385 20 10 DICDMN CC[C@@](C)(NCc1ccc(N2CCCC2)cc1)c1nccs1 ZINC001322012357 1053446174 /nfs/dbraw/zinc/44/61/74/1053446174.db2.gz JVYXHWMCXHSTSI-GOSISDBHSA-N 0 1 315.486 4.158 20 10 DICDMN CC[C@](C)(NCc1ccc(N2CCCC2)cc1)c1nccs1 ZINC001322012358 1053446958 /nfs/dbraw/zinc/44/69/58/1053446958.db2.gz JVYXHWMCXHSTSI-SFHVURJKSA-N 0 1 315.486 4.158 20 10 DICDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)CCC1(F)F ZINC001237121834 1053463947 /nfs/dbraw/zinc/46/39/47/1053463947.db2.gz PTVXFEFZEXZASF-VIFPVBQESA-N 0 1 307.743 4.052 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CCC1(F)F ZINC001237121834 1053463961 /nfs/dbraw/zinc/46/39/61/1053463961.db2.gz PTVXFEFZEXZASF-VIFPVBQESA-N 0 1 307.743 4.052 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)c1c(F)cncc1F ZINC001322453026 1053506171 /nfs/dbraw/zinc/50/61/71/1053506171.db2.gz USQPVSRMPNGRCW-SUNKGSAMSA-N 0 1 318.367 4.273 20 10 DICDMN CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC001324337994 1053646439 /nfs/dbraw/zinc/64/64/39/1053646439.db2.gz XTDABIRCPFSYAY-JKSUJKDBSA-N 0 1 301.455 4.261 20 10 DICDMN CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC001324337994 1053646446 /nfs/dbraw/zinc/64/64/46/1053646446.db2.gz XTDABIRCPFSYAY-JKSUJKDBSA-N 0 1 301.455 4.261 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001200485318 1053695385 /nfs/dbraw/zinc/69/53/85/1053695385.db2.gz CTMKEGCDVZWGCD-FRRDWIJNSA-N 0 1 324.262 4.213 20 10 DICDMN C[C@@H]([NH2+]CCCOCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC001325338868 1053714025 /nfs/dbraw/zinc/71/40/25/1053714025.db2.gz CYRCCGRFGLBJOO-CQSZACIVSA-N 0 1 319.832 4.303 20 10 DICDMN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC001325355856 1053716514 /nfs/dbraw/zinc/71/65/14/1053716514.db2.gz GNHVLXHYMIGAAW-PIGZYNQJSA-N 0 1 323.795 4.223 20 10 DICDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C1CCC(C(C)(C)C)CC1 ZINC001231454915 1053755806 /nfs/dbraw/zinc/75/58/06/1053755806.db2.gz KIIWNHIOQLNQRL-UHFFFAOYSA-N 0 1 319.445 4.127 20 10 DICDMN Oc1ccc2ccccc2c1CN1CCc2nc(Cl)ccc2C1 ZINC001231590401 1053792207 /nfs/dbraw/zinc/79/22/07/1053792207.db2.gz YCZIRRWFVXMUPO-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001231590139 1053792760 /nfs/dbraw/zinc/79/27/60/1053792760.db2.gz LWDDWADZGDIRSJ-QGZVFWFLSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001231590139 1053792773 /nfs/dbraw/zinc/79/27/73/1053792773.db2.gz LWDDWADZGDIRSJ-QGZVFWFLSA-N 0 1 318.420 4.320 20 10 DICDMN CN(Cc1cnc(Cl)s1)Cc1c(O)ccc2ccccc21 ZINC001231588493 1053793939 /nfs/dbraw/zinc/79/39/39/1053793939.db2.gz QWFYZKQTQACVSI-UHFFFAOYSA-N 0 1 318.829 4.287 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870873 1053899119 /nfs/dbraw/zinc/89/91/19/1053899119.db2.gz VSDNDSNYKGLRQN-CQSZACIVSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870873 1053899136 /nfs/dbraw/zinc/89/91/36/1053899136.db2.gz VSDNDSNYKGLRQN-CQSZACIVSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870873 1053899151 /nfs/dbraw/zinc/89/91/51/1053899151.db2.gz VSDNDSNYKGLRQN-CQSZACIVSA-N 0 1 316.832 4.129 20 10 DICDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870044 1053900204 /nfs/dbraw/zinc/90/02/04/1053900204.db2.gz HBPTWUYOSRRFEK-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870044 1053900211 /nfs/dbraw/zinc/90/02/11/1053900211.db2.gz HBPTWUYOSRRFEK-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC3(CCC(C)(C)O3)CC2)cc1Cl ZINC001231870347 1053900570 /nfs/dbraw/zinc/90/05/70/1053900570.db2.gz VISSBKNOARGDMT-UHFFFAOYSA-N 0 1 323.864 4.278 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)ccc2ccccc21 ZINC001231880720 1053906338 /nfs/dbraw/zinc/90/63/38/1053906338.db2.gz FONHFFZZRXJTCZ-LJQANCHMSA-N 0 1 318.420 4.148 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)ccc2ccccc21 ZINC001231880720 1053906344 /nfs/dbraw/zinc/90/63/44/1053906344.db2.gz FONHFFZZRXJTCZ-LJQANCHMSA-N 0 1 318.420 4.148 20 10 DICDMN COc1ccc(CC[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC001231880921 1053907086 /nfs/dbraw/zinc/90/70/86/1053907086.db2.gz NIUAJYKLTVABSF-UHFFFAOYSA-N 0 1 321.420 4.229 20 10 DICDMN COc1ccc(CC[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC001231880921 1053907098 /nfs/dbraw/zinc/90/70/98/1053907098.db2.gz NIUAJYKLTVABSF-UHFFFAOYSA-N 0 1 321.420 4.229 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001231911471 1053914168 /nfs/dbraw/zinc/91/41/68/1053914168.db2.gz GUOHJDOAOVUNBE-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN CC[N@@H+](Cc1cccc(OC)c1)Cc1cccc(Cl)c1[O-] ZINC001231912586 1053917513 /nfs/dbraw/zinc/91/75/13/1053917513.db2.gz PTJURNUOPNKDOE-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN Cc1ncsc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000296427271 1054087338 /nfs/dbraw/zinc/08/73/38/1054087338.db2.gz LRYCJCUBBWOITO-LBPRGKRZSA-N 0 1 312.438 4.204 20 10 DICDMN COc1c(C)cccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000848561194 1054151361 /nfs/dbraw/zinc/15/13/61/1054151361.db2.gz WFRRABXZQMULMO-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000848565346 1054151378 /nfs/dbraw/zinc/15/13/78/1054151378.db2.gz NOXFPGLZDNBCHX-GJZGRUSLSA-N 0 1 306.409 4.222 20 10 DICDMN c1ccc2c(CNCc3ccc(N4CCCCC4)cc3)noc2c1 ZINC000848579888 1054160365 /nfs/dbraw/zinc/16/03/65/1054160365.db2.gz QCHFLEWXDSKWEL-UHFFFAOYSA-N 0 1 321.424 4.108 20 10 DICDMN COc1ccccc1C1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001333943871 1054178112 /nfs/dbraw/zinc/17/81/12/1054178112.db2.gz AONOUYOXXKTIHB-UHFFFAOYSA-N 0 1 317.816 4.142 20 10 DICDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001233078361 1054183637 /nfs/dbraw/zinc/18/36/37/1054183637.db2.gz SJGSTLINCRZILF-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336129 1054237996 /nfs/dbraw/zinc/23/79/96/1054237996.db2.gz ZPSDBGYLYYVOSH-MRXNPFEDSA-N 0 1 303.352 4.180 20 10 DICDMN CSc1cccc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001233353282 1054248940 /nfs/dbraw/zinc/24/89/40/1054248940.db2.gz NHVGZMPNEKNHAV-UHFFFAOYSA-N 0 1 319.857 4.326 20 10 DICDMN CSc1cccc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001233353282 1054248946 /nfs/dbraw/zinc/24/89/46/1054248946.db2.gz NHVGZMPNEKNHAV-UHFFFAOYSA-N 0 1 319.857 4.326 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2ccncc2)cccc1C(F)(F)F ZINC001233417944 1054267038 /nfs/dbraw/zinc/26/70/38/1054267038.db2.gz NOPAGLPRYZTTRQ-HNNXBMFYSA-N 0 1 322.330 4.143 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001233454273 1054277878 /nfs/dbraw/zinc/27/78/78/1054277878.db2.gz OBIGPWLDTHJVQG-HNNXBMFYSA-N 0 1 322.330 4.143 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001233454273 1054277894 /nfs/dbraw/zinc/27/78/94/1054277894.db2.gz OBIGPWLDTHJVQG-HNNXBMFYSA-N 0 1 322.330 4.143 20 10 DICDMN C[C@@]1(F)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451859 1054278148 /nfs/dbraw/zinc/27/81/48/1054278148.db2.gz BWKCGJATUGCRBX-CQSZACIVSA-N 0 1 305.315 4.125 20 10 DICDMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451859 1054278161 /nfs/dbraw/zinc/27/81/61/1054278161.db2.gz BWKCGJATUGCRBX-CQSZACIVSA-N 0 1 305.315 4.125 20 10 DICDMN CC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451314 1054278290 /nfs/dbraw/zinc/27/82/90/1054278290.db2.gz GMRWJYISFDLGNO-UHFFFAOYSA-N 0 1 309.331 4.433 20 10 DICDMN CC[N@@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451314 1054278305 /nfs/dbraw/zinc/27/83/05/1054278305.db2.gz GMRWJYISFDLGNO-UHFFFAOYSA-N 0 1 309.331 4.433 20 10 DICDMN CCc1cccc(CNCc2cc(C(CC)CC)no2)c1O ZINC000848898686 1054289047 /nfs/dbraw/zinc/28/90/47/1054289047.db2.gz XEMQNBWSUXDVMT-UHFFFAOYSA-N 0 1 302.418 4.136 20 10 DICDMN CCC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@@H](C)CC ZINC001233726354 1054343362 /nfs/dbraw/zinc/34/33/62/1054343362.db2.gz CGOLPESUZWXHMX-NSHDSACASA-N 0 1 305.340 4.301 20 10 DICDMN CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@@H](C)CC ZINC001233726354 1054343369 /nfs/dbraw/zinc/34/33/69/1054343369.db2.gz CGOLPESUZWXHMX-NSHDSACASA-N 0 1 305.340 4.301 20 10 DICDMN CCCC[N@@H+](CCC)Cc1cccc(OC(F)(F)F)c1O ZINC001233754773 1054352022 /nfs/dbraw/zinc/35/20/22/1054352022.db2.gz KNKUSNLXHCVNFM-UHFFFAOYSA-N 0 1 305.340 4.303 20 10 DICDMN CCCC[N@H+](CCC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754773 1054352033 /nfs/dbraw/zinc/35/20/33/1054352033.db2.gz KNKUSNLXHCVNFM-UHFFFAOYSA-N 0 1 305.340 4.303 20 10 DICDMN CCCC[N@@H+](CCC)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754773 1054352045 /nfs/dbraw/zinc/35/20/45/1054352045.db2.gz KNKUSNLXHCVNFM-UHFFFAOYSA-N 0 1 305.340 4.303 20 10 DICDMN CCc1nc(CN[C@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000185397266 1054539319 /nfs/dbraw/zinc/53/93/19/1054539319.db2.gz FBFSAZNPQSAURF-GFCCVEGCSA-N 0 1 316.470 4.141 20 10 DICDMN COc1ccc2ccc(O)c(CN3Cc4ccc(F)cc4C3)c2c1 ZINC001234553109 1054546786 /nfs/dbraw/zinc/54/67/86/1054546786.db2.gz VJJUVWOEPIWOQZ-UHFFFAOYSA-N 0 1 323.367 4.209 20 10 DICDMN C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc2ccccc2c1[O-] ZINC001346867261 1054552175 /nfs/dbraw/zinc/55/21/75/1054552175.db2.gz HCVBSWGMTKTMPE-FFLHNBHYSA-N 0 1 303.352 4.384 20 10 DICDMN Cc1ccc(O)c([C@@H](C)NCc2csc(-c3ccco3)n2)c1 ZINC000185803623 1054665553 /nfs/dbraw/zinc/66/55/53/1054665553.db2.gz HESFHMASJCPEEL-GFCCVEGCSA-N 0 1 314.410 4.268 20 10 DICDMN CCC[N@@H+](Cc1cc(F)cc(Br)c1[O-])[C@H](C)CC ZINC001235298420 1054698162 /nfs/dbraw/zinc/69/81/62/1054698162.db2.gz SLRCEHICVWHGSW-SNVBAGLBSA-N 0 1 318.230 4.304 20 10 DICDMN CCC[N@@H+](Cc1cc(F)cc(Br)c1[O-])[C@@H](C)CC ZINC001235298419 1054698307 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DICDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001462516028 1061224755 /nfs/dbraw/zinc/22/47/55/1061224755.db2.gz CMBUSMBQVJYCJZ-GXFFZTMASA-N 0 1 319.754 4.280 20 10 DICDMN Oc1cc(-c2nc3ccc(-c4cccs4)cc3[nH]2)cc(O)c1O ZINC001251248456 1061290075 /nfs/dbraw/zinc/29/00/75/1061290075.db2.gz SBYPLKAXNDKPRX-UHFFFAOYSA-N 0 1 324.361 4.075 20 10 DICDMN CCOc1cccc(Cl)c1CN[C@H](C)c1ccccc1O ZINC001473723000 1061370528 /nfs/dbraw/zinc/37/05/28/1061370528.db2.gz VALKLWZXXJMTIH-GFCCVEGCSA-N 0 1 305.805 4.295 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(N(C)C)cc2C)c(Cl)c1 ZINC001473996326 1061539296 /nfs/dbraw/zinc/53/92/96/1061539296.db2.gz RBIFLGOYEYOHMK-UHFFFAOYSA-N 0 1 318.848 4.018 20 10 DICDMN CSCC1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC001474159078 1061701752 /nfs/dbraw/zinc/70/17/52/1061701752.db2.gz GAHOSODMEYHOET-UHFFFAOYSA-N 0 1 313.894 4.365 20 10 DICDMN Cc1cc(F)c(CNC/C=C\c2ccc(N(C)C)cc2)c(F)c1 ZINC001474278711 1061847569 /nfs/dbraw/zinc/84/75/69/1061847569.db2.gz 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Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2[O-])s1 ZINC001474380178 1062023490 /nfs/dbraw/zinc/02/34/90/1062023490.db2.gz NBFKCEJONVXNKW-SNVBAGLBSA-N 0 1 310.850 4.312 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(F)c(F)c1[O-] ZINC001474405220 1062064631 /nfs/dbraw/zinc/06/46/31/1062064631.db2.gz PBEHHYURKLKWOF-UHFFFAOYSA-N 0 1 317.788 4.407 20 10 DICDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])Cc1ccc(F)cc1F ZINC001474412849 1062077114 /nfs/dbraw/zinc/07/71/14/1062077114.db2.gz JPNVPGXSRZFVKA-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN Cc1cc(O)c(CN2CC[C@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001474474319 1062154401 /nfs/dbraw/zinc/15/44/01/1062154401.db2.gz GGLPHTKVIXULMR-GOSISDBHSA-N 0 1 319.807 4.425 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001474474319 1062154417 /nfs/dbraw/zinc/15/44/17/1062154417.db2.gz GGLPHTKVIXULMR-GOSISDBHSA-N 0 1 319.807 4.425 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001474474319 1062154427 /nfs/dbraw/zinc/15/44/27/1062154427.db2.gz GGLPHTKVIXULMR-GOSISDBHSA-N 0 1 319.807 4.425 20 10 DICDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001474505257 1062186557 /nfs/dbraw/zinc/18/65/57/1062186557.db2.gz RFRHBHXSFFABLN-DGCLKSJQSA-N 0 1 312.251 4.226 20 10 DICDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CC(C)(C)OC1(C)C ZINC001459553972 1062205757 /nfs/dbraw/zinc/20/57/57/1062205757.db2.gz IJOXPYWFDOZHJL-MRXNPFEDSA-N 0 1 305.462 4.198 20 10 DICDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CC(C)(C)OC1(C)C ZINC001459553972 1062205779 /nfs/dbraw/zinc/20/57/79/1062205779.db2.gz IJOXPYWFDOZHJL-MRXNPFEDSA-N 0 1 305.462 4.198 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)COc1ccccc1F)c1cc(Cl)ccc1[O-] ZINC001254721284 1062237822 /nfs/dbraw/zinc/23/78/22/1062237822.db2.gz ONGXLOJOEHNHBG-NWDGAFQWSA-N 0 1 323.795 4.303 20 10 DICDMN C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC001254720923 1062238218 /nfs/dbraw/zinc/23/82/18/1062238218.db2.gz CMUDMXDPUIFLLC-CYBMUJFWSA-N 0 1 318.848 4.005 20 10 DICDMN C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001474561976 1062266527 /nfs/dbraw/zinc/26/65/27/1062266527.db2.gz XVRWCQSCPVNGMI-VIFPVBQESA-N 0 1 311.809 4.366 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CC(c3ccc(F)cc3)C2)cc1 ZINC001474567449 1062272765 /nfs/dbraw/zinc/27/27/65/1062272765.db2.gz JQAZLZSGYOGLRT-ONEGZZNKSA-N 0 1 310.416 4.004 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001474574065 1062283943 /nfs/dbraw/zinc/28/39/43/1062283943.db2.gz PJMVQQWFHLNHDY-NVXWUHKLSA-N 0 1 317.379 4.439 20 10 DICDMN Cc1cc(N(C)C)ccc1CNC1(c2ccccc2Cl)CC1 ZINC001474594607 1062307018 /nfs/dbraw/zinc/30/70/18/1062307018.db2.gz JWMURXSUSRYSCA-UHFFFAOYSA-N 0 1 314.860 4.493 20 10 DICDMN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC001474608808 1062322338 /nfs/dbraw/zinc/32/23/38/1062322338.db2.gz JUYABYCVRZWZFT-CABCVRRESA-N 0 1 311.853 4.117 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]CC1(c2ccccc2F)CCC1 ZINC001474610905 1062326411 /nfs/dbraw/zinc/32/64/11/1062326411.db2.gz DGTIUFXSJNQXFH-UHFFFAOYSA-N 0 1 319.807 4.396 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630669 1062355063 /nfs/dbraw/zinc/35/50/63/1062355063.db2.gz PSXMJTBVZHRZTC-KSSFIOAISA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630669 1062355078 /nfs/dbraw/zinc/35/50/78/1062355078.db2.gz PSXMJTBVZHRZTC-KSSFIOAISA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630669 1062355101 /nfs/dbraw/zinc/35/51/01/1062355101.db2.gz PSXMJTBVZHRZTC-KSSFIOAISA-N 0 1 323.864 4.135 20 10 DICDMN CC1(C)C[C@]1([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001474647603 1062376022 /nfs/dbraw/zinc/37/60/22/1062376022.db2.gz QUWWQQYTHUAALZ-SFHVURJKSA-N 0 1 301.817 4.461 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001474681556 1062413286 /nfs/dbraw/zinc/41/32/86/1062413286.db2.gz KARJNKKDMSOJRE-HNNXBMFYSA-N 0 1 323.864 4.074 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001474681556 1062413298 /nfs/dbraw/zinc/41/32/98/1062413298.db2.gz KARJNKKDMSOJRE-HNNXBMFYSA-N 0 1 323.864 4.074 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@@H]2CCCC2(F)F)ccc2ccccc21 ZINC001474683061 1062414075 /nfs/dbraw/zinc/41/40/75/1062414075.db2.gz FLKVWNYSRJGKSR-HNNXBMFYSA-N 0 1 305.368 4.461 20 10 DICDMN C[C@H](CSc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1O ZINC001255746549 1062567802 /nfs/dbraw/zinc/56/78/02/1062567802.db2.gz GVUCUHUSLOMKMV-CYBMUJFWSA-N 0 1 305.418 4.144 20 10 DICDMN CCN(C)c1ccc(CN2CCc3cccc(Cl)c3C2)cc1 ZINC001460220146 1062703348 /nfs/dbraw/zinc/70/33/48/1062703348.db2.gz GPNMPINBGAIHHH-UHFFFAOYSA-N 0 1 314.860 4.354 20 10 DICDMN CCN(CC)c1ccc(CNc2ccc3c(n2)CCC3)cc1F ZINC001461517845 1063550539 /nfs/dbraw/zinc/55/05/39/1063550539.db2.gz ZBQDOYWNMQKFIA-UHFFFAOYSA-N 0 1 313.420 4.168 20 10 DICDMN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCc1ccc(OC)cc1 ZINC001258406870 1063643418 /nfs/dbraw/zinc/64/34/18/1063643418.db2.gz UTILILPQFIUDEM-INIZCTEOSA-N 0 1 313.441 4.244 20 10 DICDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCc1ccc(OC)cc1 ZINC001258406870 1063643426 /nfs/dbraw/zinc/64/34/26/1063643426.db2.gz UTILILPQFIUDEM-INIZCTEOSA-N 0 1 313.441 4.244 20 10 DICDMN CCS[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001461854503 1063752344 /nfs/dbraw/zinc/75/23/44/1063752344.db2.gz RIZDBDMJIILCJI-GFCCVEGCSA-N 0 1 317.857 4.292 20 10 DICDMN CC(C)[N@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001461867563 1063760641 /nfs/dbraw/zinc/76/06/41/1063760641.db2.gz NOQNJJZYIDPZHN-UHFFFAOYSA-N 0 1 309.331 4.220 20 10 DICDMN CC[C@H](C)C[N@@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001461890827 1063781435 /nfs/dbraw/zinc/78/14/35/1063781435.db2.gz WQQOJDQWRRPMOT-NSHDSACASA-N 0 1 314.267 4.331 20 10 DICDMN CCC[N@@H+](Cc1ccc(F)cc1F)Cc1cccc(F)c1[O-] ZINC001461969030 1063847715 /nfs/dbraw/zinc/84/77/15/1063847715.db2.gz HZWAKHGMDFZZTR-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCCc2ccccc21 ZINC001462018049 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Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308572874 1066084213 /nfs/dbraw/zinc/08/42/13/1066084213.db2.gz FECFRQVAWISRLK-ZDUSSCGKSA-N 0 1 305.368 4.042 20 10 DICDMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001308577014 1066089859 /nfs/dbraw/zinc/08/98/59/1066089859.db2.gz HRTQUWGNERHTPT-SNVBAGLBSA-N 0 1 305.846 4.148 20 10 DICDMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308607100 1066113667 /nfs/dbraw/zinc/11/36/67/1066113667.db2.gz JGMQKAAVWSFGAW-IBGZPJMESA-N 0 1 317.379 4.224 20 10 DICDMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001308608371 1066115084 /nfs/dbraw/zinc/11/50/84/1066115084.db2.gz XPGWSHWNWRBWID-UHFFFAOYSA-N 0 1 323.358 4.264 20 10 DICDMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607504 1066115123 /nfs/dbraw/zinc/11/51/23/1066115123.db2.gz MXLKAADYTBMTDW-DLBZAZTESA-N 0 1 323.864 4.134 20 10 DICDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607504 1066115125 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ZINC001308651594 1066138258 /nfs/dbraw/zinc/13/82/58/1066138258.db2.gz SXJCQSJAULYQMZ-UHFFFAOYSA-N 0 1 302.226 4.393 20 10 DICDMN C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001308663121 1066143851 /nfs/dbraw/zinc/14/38/51/1066143851.db2.gz MJPPOMLGQIKVCW-LJQANCHMSA-N 0 1 317.379 4.268 20 10 DICDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1O ZINC001308665601 1066144946 /nfs/dbraw/zinc/14/49/46/1066144946.db2.gz BMKMQLLQZLRVCW-KRWDZBQOSA-N 0 1 301.817 4.383 20 10 DICDMN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308665601 1066144948 /nfs/dbraw/zinc/14/49/48/1066144948.db2.gz BMKMQLLQZLRVCW-KRWDZBQOSA-N 0 1 301.817 4.383 20 10 DICDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308665601 1066144951 /nfs/dbraw/zinc/14/49/51/1066144951.db2.gz BMKMQLLQZLRVCW-KRWDZBQOSA-N 0 1 301.817 4.383 20 10 DICDMN CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001308667539 1066145540 /nfs/dbraw/zinc/14/55/40/1066145540.db2.gz DHVDLXHEPRNTBE-ROUUACIJSA-N 0 1 313.441 4.227 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1Cl ZINC001308782747 1066258375 /nfs/dbraw/zinc/25/83/75/1066258375.db2.gz QHUVHZISMFZNLP-CYBMUJFWSA-N 0 1 319.807 4.483 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1Cl ZINC001308782747 1066258390 /nfs/dbraw/zinc/25/83/90/1066258390.db2.gz QHUVHZISMFZNLP-CYBMUJFWSA-N 0 1 319.807 4.483 20 10 DICDMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001308801989 1066277514 /nfs/dbraw/zinc/27/75/14/1066277514.db2.gz RMCTWVPCWSNVPJ-LBPRGKRZSA-N 0 1 314.267 4.474 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC001308817525 1066293419 /nfs/dbraw/zinc/29/34/19/1066293419.db2.gz FPZWAYZPAOAMQR-CYBMUJFWSA-N 0 1 324.262 4.085 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC001308845744 1066323439 /nfs/dbraw/zinc/32/34/39/1066323439.db2.gz KLPMUJGQYSXERK-UPHRSURJSA-N 0 1 309.743 4.127 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001308846726 1066324061 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ZGEHSNLZTAGABE-DYVFJYSZSA-N 0 1 319.832 4.210 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136732757 526365254 /nfs/dbraw/zinc/36/52/54/526365254.db2.gz CCKUSGAWQBONLL-ZDUSSCGKSA-N 0 1 309.837 4.017 20 10 DICDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)CCC1(F)F ZINC001237121833 1053463562 /nfs/dbraw/zinc/46/35/62/1053463562.db2.gz PTVXFEFZEXZASF-SECBINFHSA-N 0 1 307.743 4.052 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CCC1(F)F ZINC001237121833 1053463572 /nfs/dbraw/zinc/46/35/72/1053463572.db2.gz PTVXFEFZEXZASF-SECBINFHSA-N 0 1 307.743 4.052 20 10 DICDMN CCc1cnc(CN(C)Cc2c(O)ccc3ccccc32)s1 ZINC000177176445 1036540296 /nfs/dbraw/zinc/54/02/96/1036540296.db2.gz UWZLGWWOPBOSDL-UHFFFAOYSA-N 0 1 312.438 4.196 20 10 DICDMN CN(C)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000049808173 1036614404 /nfs/dbraw/zinc/61/44/04/1036614404.db2.gz XMYLWCQNUYURSL-UHFFFAOYSA-N 0 1 305.303 4.315 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccsc1Cl ZINC000312753325 1037011743 /nfs/dbraw/zinc/01/17/43/1037011743.db2.gz CTFHPMXBIQRUGE-UHFFFAOYSA-N 0 1 304.846 4.491 20 10 DICDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(F)c(F)c1 ZINC000175989093 1037496056 /nfs/dbraw/zinc/49/60/56/1037496056.db2.gz GPLQACHLBBGFBL-UHFFFAOYSA-N 0 1 311.759 4.349 20 10 DICDMN CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706842349 1037498900 /nfs/dbraw/zinc/49/89/00/1037498900.db2.gz ASLXXZDWHGRFJY-RISCZKNCSA-N 0 1 312.251 4.213 20 10 DICDMN CC[C@H]1CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706842350 1037499368 /nfs/dbraw/zinc/49/93/68/1037499368.db2.gz ASLXXZDWHGRFJY-SMDDNHRTSA-N 0 1 312.251 4.213 20 10 DICDMN CC1(C)CCC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000707128829 1037807746 /nfs/dbraw/zinc/80/77/46/1037807746.db2.gz BFEKTXBXSPAUKN-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN CC1(C)CCC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000707128829 1037807765 /nfs/dbraw/zinc/80/77/65/1037807765.db2.gz BFEKTXBXSPAUKN-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000277247820 1038467345 /nfs/dbraw/zinc/46/73/45/1038467345.db2.gz NTJZHQPWPNHFAG-GDLCADMTSA-N 0 1 316.449 4.052 20 10 DICDMN CCC[N@@H+](CCCN(C)c1ccccc1)Cc1ccccc1O ZINC001167522360 1038546109 /nfs/dbraw/zinc/54/61/09/1038546109.db2.gz ZIGYMKKMHCQISG-UHFFFAOYSA-N 0 1 312.457 4.131 20 10 DICDMN CCC[N@@H+](CCN1CCCc2ccccc21)Cc1ccccc1O ZINC001167522276 1038546423 /nfs/dbraw/zinc/54/64/23/1038546423.db2.gz XEBDJDVACUOWCE-UHFFFAOYSA-N 0 1 324.468 4.057 20 10 DICDMN Cc1cc(O)c(CN[C@@H](COCC(C)C)c2ccco2)cc1C ZINC000174328926 1038924232 /nfs/dbraw/zinc/92/42/32/1038924232.db2.gz JMXOVJFISBIQCL-KRWDZBQOSA-N 0 1 317.429 4.106 20 10 DICDMN Cc1cc(O)c(CN[C@H](COCC(C)C)c2ccco2)cc1C ZINC000174328940 1038924563 /nfs/dbraw/zinc/92/45/63/1038924563.db2.gz JMXOVJFISBIQCL-QGZVFWFLSA-N 0 1 317.429 4.106 20 10 DICDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708135065 1038956898 /nfs/dbraw/zinc/95/68/98/1038956898.db2.gz VNGUQKVXPSSCJO-QMMMGPOBSA-N 0 1 306.631 4.038 20 10 DICDMN C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CCCC1 ZINC000708133481 1038953724 /nfs/dbraw/zinc/95/37/24/1038953724.db2.gz KBWXMBLKOMRFPK-UHFFFAOYSA-N 0 1 318.642 4.183 20 10 DICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCC[C@H]1C1CC1)CCCC3 ZINC000728562419 1039277917 /nfs/dbraw/zinc/27/79/17/1039277917.db2.gz OENMNERNBOINAN-INIZCTEOSA-N 0 1 311.425 4.392 20 10 DICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCC[C@H]1C1CC1)CCCC3 ZINC000728562419 1039277928 /nfs/dbraw/zinc/27/79/28/1039277928.db2.gz OENMNERNBOINAN-INIZCTEOSA-N 0 1 311.425 4.392 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc2ccccc2c1[O-] ZINC000168819587 1039615651 /nfs/dbraw/zinc/61/56/51/1039615651.db2.gz IVLXRRQSBUQJFY-TZMCWYRMSA-N 0 1 319.495 4.045 20 10 DICDMN CCc1noc(CC)c1CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000166965989 1040515205 /nfs/dbraw/zinc/51/52/05/1040515205.db2.gz CTBVFKGYJAEXKU-KRWDZBQOSA-N 0 1 315.461 4.106 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)NCc2nccn2CC(C)C)c1O ZINC000808699025 1041009642 /nfs/dbraw/zinc/00/96/42/1041009642.db2.gz QFKMJBUZGYPZOT-ZDUSSCGKSA-N 0 1 321.852 4.057 20 10 DICDMN CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808701136 1041011936 /nfs/dbraw/zinc/01/19/36/1041011936.db2.gz XATJBRGLFKEXSK-CYBMUJFWSA-N 0 1 313.869 4.193 20 10 DICDMN CCC1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000808700789 1041012582 /nfs/dbraw/zinc/01/25/82/1041012582.db2.gz RCAATSLVHLTQHM-ZDUSSCGKSA-N 0 1 311.853 4.211 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000810171061 1041322638 /nfs/dbraw/zinc/32/26/38/1041322638.db2.gz WDKQTFDKBYDBEL-AEFFLSMTSA-N 0 1 317.816 4.056 20 10 DICDMN CCC[C@@](C)(O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218010 1041338297 /nfs/dbraw/zinc/33/82/97/1041338297.db2.gz NQHKSPZNROBECN-UKRRQHHQSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@H]([NH2+]C1CCSCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810225100 1041341148 /nfs/dbraw/zinc/34/11/48/1041341148.db2.gz TXRNEMGILZKOGJ-ZDUSSCGKSA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228551 1041343756 /nfs/dbraw/zinc/34/37/56/1041343756.db2.gz IFDCXOCDBANMPF-SUHUHFCYSA-N 0 1 317.351 4.019 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228548 1041343954 /nfs/dbraw/zinc/34/39/54/1041343954.db2.gz IFDCXOCDBANMPF-JKOKRWQUSA-N 0 1 317.351 4.019 20 10 DICDMN CCOCCCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211096 1041346584 /nfs/dbraw/zinc/34/65/84/1041346584.db2.gz MEVIPAXWYSYCEY-AWEZNQCLSA-N 0 1 319.367 4.268 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccco1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207824 1041347075 /nfs/dbraw/zinc/34/70/75/1041347075.db2.gz ONBRJFIUTBCAMZ-CQSZACIVSA-N 0 1 313.319 4.287 20 10 DICDMN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236826 1041352743 /nfs/dbraw/zinc/35/27/43/1041352743.db2.gz AONZDXBCIBSYCI-LLVKDONJSA-N 0 1 309.278 4.249 20 10 DICDMN C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000328422617 1041435376 /nfs/dbraw/zinc/43/53/76/1041435376.db2.gz ZKAIIRYHJPTGCL-WMLDXEAASA-N 0 1 319.404 4.200 20 10 DICDMN C[C@@H](NCc1ccnc(Cl)c1Cl)c1ccc(N(C)C)cc1 ZINC000811491399 1041524792 /nfs/dbraw/zinc/52/47/92/1041524792.db2.gz KKQAJTKDPPBWQX-LLVKDONJSA-N 0 1 324.255 4.305 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccco1)c1cc(Br)ccc1[O-] ZINC000035661651 1041535857 /nfs/dbraw/zinc/53/58/57/1041535857.db2.gz WTSAPCKTNOGBDN-CQSZACIVSA-N 0 1 324.218 4.031 20 10 DICDMN C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2ccccc2c1[O-] ZINC000185377923 1041611709 /nfs/dbraw/zinc/61/17/09/1041611709.db2.gz BDDKMHZLRKXWOL-ZDUSSCGKSA-N 0 1 320.367 4.407 20 10 DICDMN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185615115 1041618354 /nfs/dbraw/zinc/61/83/54/1041618354.db2.gz ZSAMJCJHMBHFDT-CVEARBPZSA-N 0 1 315.457 4.241 20 10 DICDMN CCCc1nc(C)c(CN[C@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000813886012 1041742670 /nfs/dbraw/zinc/74/26/70/1041742670.db2.gz SPEWPAGKHKOBCK-LLVKDONJSA-N 0 1 322.836 4.454 20 10 DICDMN CSC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000814179601 1041780111 /nfs/dbraw/zinc/78/01/11/1041780111.db2.gz VZRKLZSNTVGDIQ-JTQLQIEISA-N 0 1 320.285 4.274 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)cc(F)c2O)[C@@H]1c1cccnc1 ZINC000814170950 1041782846 /nfs/dbraw/zinc/78/28/46/1041782846.db2.gz HBOYXJPJADXTGA-MRXNPFEDSA-N 0 1 320.795 4.163 20 10 DICDMN Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814224314 1041794175 /nfs/dbraw/zinc/79/41/75/1041794175.db2.gz FMIDAIVHOLLGPB-SFHVURJKSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814224314 1041794178 /nfs/dbraw/zinc/79/41/78/1041794178.db2.gz FMIDAIVHOLLGPB-SFHVURJKSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814224314 1041794183 /nfs/dbraw/zinc/79/41/83/1041794183.db2.gz FMIDAIVHOLLGPB-SFHVURJKSA-N 0 1 318.420 4.320 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1c(C)nn(C)c1C ZINC000756615696 1041797496 /nfs/dbraw/zinc/79/74/96/1041797496.db2.gz FUJQULOSFWLQDZ-ZUZCIYMTSA-N 0 1 321.852 4.198 20 10 DICDMN Cc1cccnc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000093158141 1041885736 /nfs/dbraw/zinc/88/57/36/1041885736.db2.gz LKDGYAHWXHWUNW-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN CCc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000815011261 1041904192 /nfs/dbraw/zinc/90/41/92/1041904192.db2.gz GRCFQRVFWJGOAL-UHFFFAOYSA-N 0 1 323.484 4.266 20 10 DICDMN Cc1cnc([C@@H](NCc2ccc(N(C)C)c(C)c2)C2CC2)s1 ZINC000815090186 1041908333 /nfs/dbraw/zinc/90/83/33/1041908333.db2.gz TTXIJMBWGRHDNM-KRWDZBQOSA-N 0 1 315.486 4.067 20 10 DICDMN COCC1(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000815641992 1041983073 /nfs/dbraw/zinc/98/30/73/1041983073.db2.gz OENCCVRXCQLASV-HNNXBMFYSA-N 0 1 313.441 4.403 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000815648644 1041984062 /nfs/dbraw/zinc/98/40/62/1041984062.db2.gz SOXRQYPLNBZUFW-IFIJOSMWSA-N 0 1 301.817 4.500 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485663 1042055449 /nfs/dbraw/zinc/05/54/49/1042055449.db2.gz VRRUXJYWLRZZEM-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc2ccccc21 ZINC000816487095 1042057898 /nfs/dbraw/zinc/05/78/98/1042057898.db2.gz CUOWBJVJDWKTML-LJQANCHMSA-N 0 1 304.393 4.278 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc2ccccc21 ZINC000816487095 1042057902 /nfs/dbraw/zinc/05/79/02/1042057902.db2.gz CUOWBJVJDWKTML-LJQANCHMSA-N 0 1 304.393 4.278 20 10 DICDMN Oc1c(CN2CCOC[C@H]2c2ccccc2)ccc2ccccc21 ZINC000816516078 1042061024 /nfs/dbraw/zinc/06/10/24/1042061024.db2.gz ULKDTKVPIWIJRL-FQEVSTJZSA-N 0 1 319.404 4.119 20 10 DICDMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508279 1042061547 /nfs/dbraw/zinc/06/15/47/1042061547.db2.gz HXMGJZYMGXRACZ-SNVBAGLBSA-N 0 1 309.768 4.083 20 10 DICDMN [O-]c1c(C[N@@H+]2CCOC3(CCCCC3)C2)ccc2ccccc21 ZINC000816516246 1042061579 /nfs/dbraw/zinc/06/15/79/1042061579.db2.gz YXMZRQIPPNHGEO-UHFFFAOYSA-N 0 1 311.425 4.081 20 10 DICDMN [O-]c1c(C[N@H+]2CCOC3(CCCCC3)C2)ccc2ccccc21 ZINC000816516246 1042061583 /nfs/dbraw/zinc/06/15/83/1042061583.db2.gz YXMZRQIPPNHGEO-UHFFFAOYSA-N 0 1 311.425 4.081 20 10 DICDMN CCOCc1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816531985 1042061963 /nfs/dbraw/zinc/06/19/63/1042061963.db2.gz MPPCGOWHHLXXHP-UHFFFAOYSA-N 0 1 321.420 4.372 20 10 DICDMN Cc1ccc(OCC[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816531438 1042062380 /nfs/dbraw/zinc/06/23/80/1042062380.db2.gz RWEXLISMIWEHEM-UHFFFAOYSA-N 0 1 307.393 4.022 20 10 DICDMN CC(C)Oc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816535115 1042062822 /nfs/dbraw/zinc/06/28/22/1042062822.db2.gz GJFBYPRIYDWPTO-UHFFFAOYSA-N 0 1 322.408 4.017 20 10 DICDMN [O-]c1c(C[NH2+]Cc2ccc3ccccc3n2)ccc2ccccc21 ZINC000816542060 1042063248 /nfs/dbraw/zinc/06/32/48/1042063248.db2.gz BOTWLHQHNLXBCA-UHFFFAOYSA-N 0 1 314.388 4.383 20 10 DICDMN CCCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816536230 1042063336 /nfs/dbraw/zinc/06/33/36/1042063336.db2.gz PBFCFPCYVQHCPR-UHFFFAOYSA-N 0 1 322.408 4.019 20 10 DICDMN Cc1ccccc1OCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816537393 1042063650 /nfs/dbraw/zinc/06/36/50/1042063650.db2.gz DCWKODBCSKUHIB-UHFFFAOYSA-N 0 1 307.393 4.022 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc2ccccc21 ZINC000816566605 1042068441 /nfs/dbraw/zinc/06/84/41/1042068441.db2.gz ADTJMVLEHURJNJ-KRWDZBQOSA-N 0 1 318.420 4.005 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)ccc2ccccc21 ZINC000816566605 1042068448 /nfs/dbraw/zinc/06/84/48/1042068448.db2.gz ADTJMVLEHURJNJ-KRWDZBQOSA-N 0 1 318.420 4.005 20 10 DICDMN CC(C)(O)c1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816572380 1042069996 /nfs/dbraw/zinc/06/99/96/1042069996.db2.gz NAHSKGSKHHXINM-UHFFFAOYSA-N 0 1 321.420 4.063 20 10 DICDMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569819 1042070850 /nfs/dbraw/zinc/07/08/50/1042070850.db2.gz XQQDUDUJVRSJTP-ZBEGNZNMSA-N 0 1 320.795 4.163 20 10 DICDMN C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608786 1042073759 /nfs/dbraw/zinc/07/37/59/1042073759.db2.gz JOOGWWKMFIIWLZ-CRAIPNDOSA-N 0 1 313.441 4.061 20 10 DICDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608786 1042073764 /nfs/dbraw/zinc/07/37/64/1042073764.db2.gz JOOGWWKMFIIWLZ-CRAIPNDOSA-N 0 1 313.441 4.061 20 10 DICDMN CCN(CC)c1ccc(CN[C@H](C)c2ccncc2Cl)cc1 ZINC000817576679 1042116141 /nfs/dbraw/zinc/11/61/41/1042116141.db2.gz UZRNMEQPTFRJTP-CQSZACIVSA-N 0 1 317.864 4.432 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)c1cc(Cl)ccc1[O-] ZINC000817589897 1042119337 /nfs/dbraw/zinc/11/93/37/1042119337.db2.gz RCMFVCIAGACAET-MRXNPFEDSA-N 0 1 304.821 4.298 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000817968095 1042135019 /nfs/dbraw/zinc/13/50/19/1042135019.db2.gz PAHCCBYFZLFPSY-DIFFPNOSSA-N 0 1 316.832 4.356 20 10 DICDMN CC(C)n1cncc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000822443534 1042283875 /nfs/dbraw/zinc/28/38/75/1042283875.db2.gz WZIHWLNGDDXKAY-UHFFFAOYSA-N 0 1 313.445 4.114 20 10 DICDMN CCCCOCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000318707871 1042286583 /nfs/dbraw/zinc/28/65/83/1042286583.db2.gz ZVSDXMLHKHYHLO-OAHLLOKOSA-N 0 1 301.430 4.403 20 10 DICDMN CC(C)N(CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000320073758 1042304576 /nfs/dbraw/zinc/30/45/76/1042304576.db2.gz WQDVMJFGYVQEBK-MRXNPFEDSA-N 0 1 314.473 4.315 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCOc2ccc(F)cc2)c(Cl)c1 ZINC001648951394 1042522726 /nfs/dbraw/zinc/52/27/26/1042522726.db2.gz UNRPMVNOPHVMTQ-UHFFFAOYSA-N 0 1 323.795 4.052 20 10 DICDMN CC[C@@H](NCc1csc([C@H](C)OC)n1)c1ccc(C)cc1O ZINC000280097794 1042564511 /nfs/dbraw/zinc/56/45/11/1042564511.db2.gz MXGVRZGPDLORME-SWLSCSKDSA-N 0 1 320.458 4.105 20 10 DICDMN CC[C@H](NCc1nc(C)c2ccccc2n1)c1ccc(C)cc1O ZINC000794803439 1043051417 /nfs/dbraw/zinc/05/14/17/1043051417.db2.gz IZACRRNJJGIEQI-KRWDZBQOSA-N 0 1 321.424 4.193 20 10 DICDMN CC[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccc(C)cc1O ZINC000794814387 1043059571 /nfs/dbraw/zinc/05/95/71/1043059571.db2.gz FHHCYRDJFXXFKP-GJZGRUSLSA-N 0 1 319.351 4.153 20 10 DICDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2ccccc2n1 ZINC000178188232 1043123530 /nfs/dbraw/zinc/12/35/30/1043123530.db2.gz UQCOZFSMOPMVLJ-AWEZNQCLSA-N 0 1 323.415 4.291 20 10 DICDMN CC(C)COC[C@H](N[C@@H](C)c1ccccc1O)c1ccco1 ZINC000183478094 1043164762 /nfs/dbraw/zinc/16/47/62/1043164762.db2.gz SUMAFZPANPLDSR-HOCLYGCPSA-N 0 1 303.402 4.050 20 10 DICDMN CCOCc1ccccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184932345 1043192594 /nfs/dbraw/zinc/19/25/94/1043192594.db2.gz ZVGHESHYVCXPSY-CYBMUJFWSA-N 0 1 319.832 4.433 20 10 DICDMN Cc1ccc([C@@H](C)NCc2noc3ccc(F)cc32)c(O)c1C ZINC000866511554 1043214737 /nfs/dbraw/zinc/21/47/37/1043214737.db2.gz QWWYYAVZXGTACQ-GFCCVEGCSA-N 0 1 314.360 4.140 20 10 DICDMN CCOCCC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000186155412 1043216747 /nfs/dbraw/zinc/21/67/47/1043216747.db2.gz OCDRLHCIOLVJST-HNNXBMFYSA-N 0 1 313.441 4.403 20 10 DICDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000866540475 1043219949 /nfs/dbraw/zinc/21/99/49/1043219949.db2.gz OWEPFGXEWANKCN-NSHDSACASA-N 0 1 320.776 4.113 20 10 DICDMN CCn1cc(N[C@H](C)c2ccc(Cl)c(Cl)c2O)cn1 ZINC000186356982 1043222199 /nfs/dbraw/zinc/22/21/99/1043222199.db2.gz NVWKGEGBVGMBLR-MRVPVSSYSA-N 0 1 300.189 4.089 20 10 DICDMN COc1ccc(F)cc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000187586184 1043246839 /nfs/dbraw/zinc/24/68/39/1043246839.db2.gz YNXBMSVPJYVWSH-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000122424738 1043304607 /nfs/dbraw/zinc/30/46/07/1043304607.db2.gz SSIWXQKHGAIZNS-KBPBESRZSA-N 0 1 316.420 4.312 20 10 DICDMN Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000872134640 1043474824 /nfs/dbraw/zinc/47/48/24/1043474824.db2.gz SWPPLQPOGBRYSL-OCCSQVGLSA-N 0 1 307.397 4.056 20 10 DICDMN C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000124408916 1043520445 /nfs/dbraw/zinc/52/04/45/1043520445.db2.gz RDJVBSXIWNCJKI-CHWSQXEVSA-N 0 1 304.384 4.443 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000825710431 1043567084 /nfs/dbraw/zinc/56/70/84/1043567084.db2.gz POCIVSVNXRABBI-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000825710431 1043567090 /nfs/dbraw/zinc/56/70/90/1043567090.db2.gz POCIVSVNXRABBI-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000825710431 1043567095 /nfs/dbraw/zinc/56/70/95/1043567095.db2.gz POCIVSVNXRABBI-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1O ZINC000874082696 1043568054 /nfs/dbraw/zinc/56/80/54/1043568054.db2.gz YQEKSPBVZMNNCM-GFCCVEGCSA-N 0 1 321.367 4.180 20 10 DICDMN Cc1cc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)on1 ZINC000125604008 1043642274 /nfs/dbraw/zinc/64/22/74/1043642274.db2.gz ZKYJOXMNHDAUMK-INIZCTEOSA-N 0 1 313.445 4.214 20 10 DICDMN C[C@@H](NCc1nc2c(s1)CCCC2)c1cc(Cl)ccc1O ZINC000926921575 1043657990 /nfs/dbraw/zinc/65/79/90/1043657990.db2.gz VPPXHLQRNCNMKJ-SNVBAGLBSA-N 0 1 322.861 4.232 20 10 DICDMN C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(Cl)ccc1[O-] ZINC000926921575 1043657993 /nfs/dbraw/zinc/65/79/93/1043657993.db2.gz VPPXHLQRNCNMKJ-SNVBAGLBSA-N 0 1 322.861 4.232 20 10 DICDMN C[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc2ccccc2c1O ZINC000927107074 1043687710 /nfs/dbraw/zinc/68/77/10/1043687710.db2.gz BKLDMAWXZSJBGM-ZDUSSCGKSA-N 0 1 321.424 4.007 20 10 DICDMN [O-]c1ccccc1C[N@H+](CCC[C@@H]1CCO1)C1CCCCC1 ZINC000876522434 1043691004 /nfs/dbraw/zinc/69/10/04/1043691004.db2.gz QTJBOBFNGDPPDB-GOSISDBHSA-N 0 1 303.446 4.096 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CCC[C@@H]1CCO1)C1CCCCC1 ZINC000876522434 1043691015 /nfs/dbraw/zinc/69/10/15/1043691015.db2.gz QTJBOBFNGDPPDB-GOSISDBHSA-N 0 1 303.446 4.096 20 10 DICDMN Cc1ccc(CN[C@@H](C)c2nc(C(F)(F)F)cs2)c(O)c1 ZINC000877482426 1043766061 /nfs/dbraw/zinc/76/60/61/1043766061.db2.gz IOOJUTUSEYCCHE-VIFPVBQESA-N 0 1 316.348 4.027 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1Cl ZINC000826043968 1043898307 /nfs/dbraw/zinc/89/83/07/1043898307.db2.gz WZWZZEUPAFRLRB-MLGOLLRUSA-N 0 1 317.816 4.356 20 10 DICDMN Cc1cccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000127195437 1043900739 /nfs/dbraw/zinc/90/07/39/1043900739.db2.gz ICDXLHLZANXWLB-QGZVFWFLSA-N 0 1 309.457 4.231 20 10 DICDMN CCCC[C@@H](CC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001257413019 1043965229 /nfs/dbraw/zinc/96/52/29/1043965229.db2.gz QSPBSJCCZKVARB-CYBMUJFWSA-N 0 1 300.240 4.213 20 10 DICDMN Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c(Cl)n1 ZINC000883302020 1044263923 /nfs/dbraw/zinc/26/39/23/1044263923.db2.gz OKKQATMUWOUQHG-JTQLQIEISA-N 0 1 311.212 4.253 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000883353400 1044281210 /nfs/dbraw/zinc/28/12/10/1044281210.db2.gz UDCDWYOMWYMJDH-GMBSWORKSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc2ccccc2c1[O-] ZINC000883380844 1044292839 /nfs/dbraw/zinc/29/28/39/1044292839.db2.gz BGBKSZNHZBXOHH-CQSZACIVSA-N 0 1 311.425 4.155 20 10 DICDMN CN(C)c1ccc(CNCc2cc(C3CC3)ccc2F)cc1F ZINC001202560666 1044351092 /nfs/dbraw/zinc/35/10/92/1044351092.db2.gz LAUQZOMCAVPPDZ-UHFFFAOYSA-N 0 1 316.395 4.198 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000840836493 1044356444 /nfs/dbraw/zinc/35/64/44/1044356444.db2.gz ZEXRLHCGMNMQLQ-BXUZGUMPSA-N 0 1 319.367 4.124 20 10 DICDMN CCOCCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCC1 ZINC000840909755 1044511826 /nfs/dbraw/zinc/51/18/26/1044511826.db2.gz VLHKRDWGVHBDKT-UHFFFAOYSA-N 0 1 311.853 4.041 20 10 DICDMN CC1CCN(c2ccc(CN[C@@H]3CCc4cccnc43)cc2)CC1 ZINC000886525151 1044653727 /nfs/dbraw/zinc/65/37/27/1044653727.db2.gz YLDGVOMOLJJTKG-HXUWFJFHSA-N 0 1 321.468 4.095 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)NCc2cc(C3CC3)no2)c1O ZINC000886683914 1044679298 /nfs/dbraw/zinc/67/92/98/1044679298.db2.gz ALKVEWDROZVIED-JTQLQIEISA-N 0 1 306.793 4.070 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001138129712 1044891808 /nfs/dbraw/zinc/89/18/08/1044891808.db2.gz SBXPTPAYRWHBBT-HNNXBMFYSA-N 0 1 321.392 4.037 20 10 DICDMN CCCOc1ccc(CN[C@](C)(CC)c2nccs2)c(O)c1 ZINC000152655269 1045046970 /nfs/dbraw/zinc/04/69/70/1045046970.db2.gz SMWQGWKWCMIDBD-QGZVFWFLSA-N 0 1 320.458 4.053 20 10 DICDMN Oc1ccccc1C[N@@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000779011754 1045125286 /nfs/dbraw/zinc/12/52/86/1045125286.db2.gz CIOYAMUFVMFJBV-UHFFFAOYSA-N 0 1 315.388 4.182 20 10 DICDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccns1 ZINC000925010215 1045219203 /nfs/dbraw/zinc/21/92/03/1045219203.db2.gz FDLHYAUNPKGYAD-OAHLLOKOSA-N 0 1 315.486 4.230 20 10 DICDMN C[C@H](NCc1ccc(Cl)cc1F)c1ccc(N(C)C)cc1 ZINC000779053888 1045219888 /nfs/dbraw/zinc/21/98/88/1045219888.db2.gz MSQLGIUWQFNTFL-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000188796064 1045339529 /nfs/dbraw/zinc/33/95/29/1045339529.db2.gz UPDCFVVZQQTGEB-KGLIPLIRSA-N 0 1 322.408 4.361 20 10 DICDMN C[C@H]([NH2+]CCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000783647954 1045350295 /nfs/dbraw/zinc/35/02/95/1045350295.db2.gz WMZFYEFWBBTMHU-LBPRGKRZSA-N 0 1 320.230 4.048 20 10 DICDMN CC(C)Oc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113320089 1045561791 /nfs/dbraw/zinc/56/17/91/1045561791.db2.gz CLZXTDOZIARGDW-UHFFFAOYSA-N 0 1 305.805 4.123 20 10 DICDMN CCC[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccccc1O ZINC000750875517 1045565937 /nfs/dbraw/zinc/56/59/37/1045565937.db2.gz SOEBNWFJKOYXRJ-UHFFFAOYSA-N 0 1 322.408 4.459 20 10 DICDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600133 1045620812 /nfs/dbraw/zinc/62/08/12/1045620812.db2.gz GXKABYRFLJOWRQ-QAPCUYQASA-N 0 1 318.420 4.318 20 10 DICDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600133 1045620814 /nfs/dbraw/zinc/62/08/14/1045620814.db2.gz GXKABYRFLJOWRQ-QAPCUYQASA-N 0 1 318.420 4.318 20 10 DICDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000800498443 1045635315 /nfs/dbraw/zinc/63/53/15/1045635315.db2.gz KJCMPHRVWNGOFH-IVMMDQJWSA-N 0 1 319.420 4.019 20 10 DICDMN Oc1ccc2ccccc2c1CN1CCOc2cccc(F)c2C1 ZINC000800856276 1045658840 /nfs/dbraw/zinc/65/88/40/1045658840.db2.gz YHGJVWKFWPJGNM-UHFFFAOYSA-N 0 1 323.367 4.079 20 10 DICDMN Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000800992853 1045678369 /nfs/dbraw/zinc/67/83/69/1045678369.db2.gz UIYWYPDUZYJPRY-ACJLOTCBSA-N 0 1 319.832 4.047 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccsc2)c1[O-] ZINC000801570740 1045744604 /nfs/dbraw/zinc/74/46/04/1045744604.db2.gz UTGWNEQPHICZIM-VIFPVBQESA-N 0 1 309.818 4.161 20 10 DICDMN CCCCN(Cc1nc(C)c(C)s1)Cc1ccccc1O ZINC000801596496 1045749479 /nfs/dbraw/zinc/74/94/79/1045749479.db2.gz BNUXGBWWZDFIGT-UHFFFAOYSA-N 0 1 304.459 4.268 20 10 DICDMN CCCCN(Cc1noc2c1CCCC2)Cc1ccccc1O ZINC000801597108 1045751981 /nfs/dbraw/zinc/75/19/81/1045751981.db2.gz BEXJTOZPVPASSB-UHFFFAOYSA-N 0 1 314.429 4.061 20 10 DICDMN C[C@@H](C1CC1)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753536982 1045759415 /nfs/dbraw/zinc/75/94/15/1045759415.db2.gz QVQUZMBEWRFXQO-HNNXBMFYSA-N 0 1 311.425 4.202 20 10 DICDMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753536982 1045759423 /nfs/dbraw/zinc/75/94/23/1045759423.db2.gz QVQUZMBEWRFXQO-HNNXBMFYSA-N 0 1 311.425 4.202 20 10 DICDMN C[C@H](C1CC1)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753536986 1045759679 /nfs/dbraw/zinc/75/96/79/1045759679.db2.gz QVQUZMBEWRFXQO-OAHLLOKOSA-N 0 1 311.425 4.202 20 10 DICDMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000753536986 1045759682 /nfs/dbraw/zinc/75/96/82/1045759682.db2.gz QVQUZMBEWRFXQO-OAHLLOKOSA-N 0 1 311.425 4.202 20 10 DICDMN Cc1cc(CN2CC3(C2)CC(F)(F)C3)ccc1N1CCCCC1 ZINC000828551264 1045916251 /nfs/dbraw/zinc/91/62/51/1045916251.db2.gz ZTZCRCSERRBQKP-UHFFFAOYSA-N 0 1 320.427 4.216 20 10 DICDMN COc1cc(C)cc(CN2CC[C@@H]2c2ccc(Cl)cc2)c1O ZINC000754740927 1045922449 /nfs/dbraw/zinc/92/24/49/1045922449.db2.gz JNOMEUQVMALMDI-MRXNPFEDSA-N 0 1 317.816 4.310 20 10 DICDMN Cc1cccc(CN(C)Cc2ccc(N3CCCC3)cc2)c1F ZINC001137677414 1045930944 /nfs/dbraw/zinc/93/09/44/1045930944.db2.gz QDFFPKUDSKJJKT-UHFFFAOYSA-N 0 1 312.432 4.366 20 10 DICDMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000193009366 1045960118 /nfs/dbraw/zinc/96/01/18/1045960118.db2.gz TYESMMHSDMZPGS-ZIAGYGMSSA-N 0 1 316.420 4.312 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001137839216 1045981556 /nfs/dbraw/zinc/98/15/56/1045981556.db2.gz XCZFVHAJWRESGL-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN Cc1cc(CN2CCc3ccncc3C2)c(C)n1-c1ccccc1 ZINC001137857973 1045987693 /nfs/dbraw/zinc/98/76/93/1045987693.db2.gz QXHJQDNXQHNCKK-UHFFFAOYSA-N 0 1 317.436 4.047 20 10 DICDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCSC1 ZINC000755794896 1046016618 /nfs/dbraw/zinc/01/66/18/1046016618.db2.gz RUHPBHKROWSQSO-ZDUSSCGKSA-N 0 1 313.422 4.229 20 10 DICDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@H]1CCSC1 ZINC000755794896 1046016626 /nfs/dbraw/zinc/01/66/26/1046016626.db2.gz RUHPBHKROWSQSO-ZDUSSCGKSA-N 0 1 313.422 4.229 20 10 DICDMN CCCCN(Cc1coc(C2CC2)n1)Cc1ccccc1O ZINC000802657473 1046027667 /nfs/dbraw/zinc/02/76/67/1046027667.db2.gz FYBJQSRNBGACSY-UHFFFAOYSA-N 0 1 300.402 4.060 20 10 DICDMN C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756379305 1046075058 /nfs/dbraw/zinc/07/50/58/1046075058.db2.gz NCHKTSQWDAOSPM-GHMZBOCLSA-N 0 1 324.218 4.030 20 10 DICDMN C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000756440752 1046080882 /nfs/dbraw/zinc/08/08/82/1046080882.db2.gz GTFVWINQHXGNLV-LRDDRELGSA-N 0 1 321.852 4.008 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000756474407 1046086538 /nfs/dbraw/zinc/08/65/38/1046086538.db2.gz IGGZZWMLVIQLRW-NWDGAFQWSA-N 0 1 310.235 4.162 20 10 DICDMN COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756494769 1046090558 /nfs/dbraw/zinc/09/05/58/1046090558.db2.gz GSHAYIWORYRFRO-ZDUSSCGKSA-N 0 1 317.404 4.168 20 10 DICDMN C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc2ccccc2c1[O-] ZINC000194401243 1046098849 /nfs/dbraw/zinc/09/88/49/1046098849.db2.gz PZSCIQYMXQQMKX-ZDUSSCGKSA-N 0 1 321.376 4.125 20 10 DICDMN CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756563030 1046099844 /nfs/dbraw/zinc/09/98/44/1046099844.db2.gz LAZKFDODJIVUHV-RDJZCZTQSA-N 0 1 312.457 4.070 20 10 DICDMN CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756563033 1046101261 /nfs/dbraw/zinc/10/12/61/1046101261.db2.gz LAZKFDODJIVUHV-WBVHZDCISA-N 0 1 312.457 4.070 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])Oc1ccccc1F ZINC000756609740 1046109605 /nfs/dbraw/zinc/10/96/05/1046109605.db2.gz NGIFLBQEDUPTQT-RYUDHWBXSA-N 0 1 323.795 4.303 20 10 DICDMN CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000756627120 1046111906 /nfs/dbraw/zinc/11/19/06/1046111906.db2.gz QTDLBGISAOKOCW-CXAGYDPISA-N 0 1 301.430 4.257 20 10 DICDMN COC1CCC(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000756643168 1046115611 /nfs/dbraw/zinc/11/56/11/1046115611.db2.gz SSJVQMDKXFDXAL-UQPPLGOBSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756661746 1046117926 /nfs/dbraw/zinc/11/79/26/1046117926.db2.gz VEZYNWWXTIUZGO-LRDDRELGSA-N 0 1 311.853 4.028 20 10 DICDMN COc1ccc(C)cc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756672836 1046119735 /nfs/dbraw/zinc/11/97/35/1046119735.db2.gz UHHKUYGQLRMQCS-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756737623 1046125702 /nfs/dbraw/zinc/12/57/02/1046125702.db2.gz WPYDPHRRXGMPMP-GDZNZVCISA-N 0 1 311.853 4.147 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000756757229 1046128385 /nfs/dbraw/zinc/12/83/85/1046128385.db2.gz MHUGQYYRXFIDCU-XPKDYRNWSA-N 0 1 321.436 4.265 20 10 DICDMN C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cc(Cl)ccc1[O-] ZINC000756757744 1046128553 /nfs/dbraw/zinc/12/85/53/1046128553.db2.gz BJCXBNQDCDMTEO-XPTSAGLGSA-N 0 1 324.207 4.483 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000756778768 1046131572 /nfs/dbraw/zinc/13/15/72/1046131572.db2.gz PLHFLPFLQIPMLD-GHJWDPDVSA-N 0 1 311.853 4.290 20 10 DICDMN CC(C)(C)OCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000756880224 1046147797 /nfs/dbraw/zinc/14/77/97/1046147797.db2.gz RCFAMWJRAUIDEY-UHFFFAOYSA-N 0 1 305.462 4.342 20 10 DICDMN CC(C)(C)OCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000756880224 1046147801 /nfs/dbraw/zinc/14/78/01/1046147801.db2.gz RCFAMWJRAUIDEY-UHFFFAOYSA-N 0 1 305.462 4.342 20 10 DICDMN CN(C)c1ccc(CNCc2ccc(Oc3ccccc3)o2)cc1 ZINC000779966458 1046178944 /nfs/dbraw/zinc/17/89/44/1046178944.db2.gz FFGARQWQGTXEOK-UHFFFAOYSA-N 0 1 322.408 4.428 20 10 DICDMN C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1cc(Cl)ccc1[O-] ZINC000903183007 1046185831 /nfs/dbraw/zinc/18/58/31/1046185831.db2.gz XDLOHEULZMNBRV-GFCCVEGCSA-N 0 1 316.832 4.170 20 10 DICDMN Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000757615843 1046192916 /nfs/dbraw/zinc/19/29/16/1046192916.db2.gz ZKPHQHBTSCKACM-LBPRGKRZSA-N 0 1 320.383 4.214 20 10 DICDMN C[C@H](N[C@@H](c1ncccn1)C1CC1)c1ccc2ccccc2c1O ZINC000903324257 1046238651 /nfs/dbraw/zinc/23/86/51/1046238651.db2.gz CXPHWCBHNFCEKD-SCLBCKFNSA-N 0 1 319.408 4.137 20 10 DICDMN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903336091 1046249035 /nfs/dbraw/zinc/24/90/35/1046249035.db2.gz VWIIFCCVLQBSIG-PIGZYNQJSA-N 0 1 302.805 4.243 20 10 DICDMN C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc2ccccc2c1[O-] ZINC000903363798 1046256666 /nfs/dbraw/zinc/25/66/66/1046256666.db2.gz QHVQBAFCNSDSBA-DKICVRJWSA-N 0 1 323.436 4.155 20 10 DICDMN C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc2ccccc2c1[O-] ZINC000903363799 1046256952 /nfs/dbraw/zinc/25/69/52/1046256952.db2.gz QHVQBAFCNSDSBA-PTSWNOGYSA-N 0 1 323.436 4.155 20 10 DICDMN CC[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(Cl)ccc1[O-] ZINC000903364154 1046257904 /nfs/dbraw/zinc/25/79/04/1046257904.db2.gz UWMAFHUAGATXKT-YLQAJVPDSA-N 0 1 321.848 4.046 20 10 DICDMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000780793582 1046407285 /nfs/dbraw/zinc/40/72/85/1046407285.db2.gz RTGOCNUFFWUVEP-ONGXEEELSA-N 0 1 307.743 4.208 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001139686360 1046498534 /nfs/dbraw/zinc/49/85/34/1046498534.db2.gz VYRYFYSRAPGYFB-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001139685678 1046499058 /nfs/dbraw/zinc/49/90/58/1046499058.db2.gz SQTQJBUPFBICCN-KRWDZBQOSA-N 0 1 303.352 4.398 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001139683273 1046499384 /nfs/dbraw/zinc/49/93/84/1046499384.db2.gz JZSVQWQTYJZFDX-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001140059192 1046577671 /nfs/dbraw/zinc/57/76/71/1046577671.db2.gz YCXCHUXQDNRZEO-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN CCOc1ccc(O)c(CN[C@@H](c2ccco2)c2ccccc2)c1 ZINC000237092466 1046595256 /nfs/dbraw/zinc/59/52/56/1046595256.db2.gz WIQVAUQRUMSTOQ-HXUWFJFHSA-N 0 1 323.392 4.263 20 10 DICDMN COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746848 1046607965 /nfs/dbraw/zinc/60/79/65/1046607965.db2.gz LOPVZAYMXYFYDX-VXGBXAGGSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(Cl)ccc2[O-])s1 ZINC000093275195 1046619054 /nfs/dbraw/zinc/61/90/54/1046619054.db2.gz SEVHBUHGFALTGJ-JTQLQIEISA-N 0 1 310.850 4.312 20 10 DICDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(Cl)ccc2[O-])s1 ZINC000093275195 1046619062 /nfs/dbraw/zinc/61/90/62/1046619062.db2.gz SEVHBUHGFALTGJ-JTQLQIEISA-N 0 1 310.850 4.312 20 10 DICDMN Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC000841754023 1046638489 /nfs/dbraw/zinc/63/84/89/1046638489.db2.gz YQFBUZQPFICUPC-NSHDSACASA-N 0 1 320.776 4.113 20 10 DICDMN Cc1cccc([C@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)c1 ZINC000784025855 1046652643 /nfs/dbraw/zinc/65/26/43/1046652643.db2.gz QDAIDJKBOLKUPC-SFHVURJKSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1cccc([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)c1 ZINC000784025855 1046652646 /nfs/dbraw/zinc/65/26/46/1046652646.db2.gz QDAIDJKBOLKUPC-SFHVURJKSA-N 0 1 318.420 4.238 20 10 DICDMN CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841757267 1046665003 /nfs/dbraw/zinc/66/50/03/1046665003.db2.gz NANNIWXGXINPAC-SNVBAGLBSA-N 0 1 308.809 4.145 20 10 DICDMN CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841757265 1046665113 /nfs/dbraw/zinc/66/51/13/1046665113.db2.gz NANNIWXGXINPAC-JTQLQIEISA-N 0 1 308.809 4.145 20 10 DICDMN C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(Br)cc1[O-] ZINC000834818443 1046675717 /nfs/dbraw/zinc/67/57/17/1046675717.db2.gz LTKIZFTURLIKKI-SECBINFHSA-N 0 1 322.193 4.241 20 10 DICDMN CCc1ncc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)o1 ZINC000834901169 1046712246 /nfs/dbraw/zinc/71/22/46/1046712246.db2.gz XVRWNVAAYHSEMG-HNNXBMFYSA-N 0 1 313.445 4.078 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cc(Cl)ccc1[O-] ZINC000834902138 1046713932 /nfs/dbraw/zinc/71/39/32/1046713932.db2.gz DUEIYPKGWSEGHI-ABAIWWIYSA-N 0 1 307.825 4.064 20 10 DICDMN COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])c1 ZINC001140466141 1046737633 /nfs/dbraw/zinc/73/76/33/1046737633.db2.gz YNBNMGQDNCHHOB-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])c1 ZINC001140466141 1046737644 /nfs/dbraw/zinc/73/76/44/1046737644.db2.gz YNBNMGQDNCHHOB-QGZVFWFLSA-N 0 1 317.816 4.391 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001140466628 1046737868 /nfs/dbraw/zinc/73/78/68/1046737868.db2.gz INSUKAPFFJZBHK-QGZVFWFLSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001140466628 1046737882 /nfs/dbraw/zinc/73/78/82/1046737882.db2.gz INSUKAPFFJZBHK-QGZVFWFLSA-N 0 1 317.816 4.089 20 10 DICDMN COc1cccc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464643 1046737919 /nfs/dbraw/zinc/73/79/19/1046737919.db2.gz YLDGKHGQEKXNFX-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464643 1046737929 /nfs/dbraw/zinc/73/79/29/1046737929.db2.gz YLDGKHGQEKXNFX-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])cn1 ZINC001140465154 1046738405 /nfs/dbraw/zinc/73/84/05/1046738405.db2.gz HROBTNMCVORJCS-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])cn1 ZINC001140465154 1046738424 /nfs/dbraw/zinc/73/84/24/1046738424.db2.gz HROBTNMCVORJCS-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(F)cc1O ZINC000796923028 1046759414 /nfs/dbraw/zinc/75/94/14/1046759414.db2.gz KFEJWFCGHLCLDY-KRWDZBQOSA-N 0 1 320.383 4.295 20 10 DICDMN CC[C@H]([NH2+]CCCc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000797017023 1046773381 /nfs/dbraw/zinc/77/33/81/1046773381.db2.gz NDYOJYYRIOIDPV-KRWDZBQOSA-N 0 1 318.848 4.423 20 10 DICDMN C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc2ccccc2c1[O-] ZINC000797051848 1046779346 /nfs/dbraw/zinc/77/93/46/1046779346.db2.gz FGDIHHQCXMSVQF-CQSZACIVSA-N 0 1 317.392 4.044 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001140582940 1046792625 /nfs/dbraw/zinc/79/26/25/1046792625.db2.gz QCPULPUNLIXOBI-KRWDZBQOSA-N 0 1 303.352 4.398 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001140582774 1046793865 /nfs/dbraw/zinc/79/38/65/1046793865.db2.gz MPXMTCKTORETBC-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN Cc1ccc(O)c(CN2CCSC[C@@H]2c2ccc(F)cc2)c1 ZINC001140623354 1046819286 /nfs/dbraw/zinc/81/92/86/1046819286.db2.gz OKWXJFNFLJPTJJ-QGZVFWFLSA-N 0 1 317.429 4.130 20 10 DICDMN Cc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c(O)c1 ZINC001140948538 1046957682 /nfs/dbraw/zinc/95/76/82/1046957682.db2.gz MTMXIFLZQFPQLR-NRFANRHFSA-N 0 1 318.420 4.107 20 10 DICDMN Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3C)C2)c(O)c1 ZINC001140949585 1046958520 /nfs/dbraw/zinc/95/85/20/1046958520.db2.gz FLRIZEMONKZBEN-SFHVURJKSA-N 0 1 311.425 4.052 20 10 DICDMN CCc1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000799393177 1047025281 /nfs/dbraw/zinc/02/52/81/1047025281.db2.gz SXTJTAPEPVGUOD-UHFFFAOYSA-N 0 1 306.409 4.135 20 10 DICDMN CCc1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000799393177 1047025295 /nfs/dbraw/zinc/02/52/95/1047025295.db2.gz SXTJTAPEPVGUOD-UHFFFAOYSA-N 0 1 306.409 4.135 20 10 DICDMN COc1cccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000325685867 1047205828 /nfs/dbraw/zinc/20/58/28/1047205828.db2.gz BMAPIFFWPMVEID-OAHLLOKOSA-N 0 1 321.420 4.447 20 10 DICDMN C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccc2ccccc2c1[O-] ZINC001117721936 1047239302 /nfs/dbraw/zinc/23/93/02/1047239302.db2.gz CXRBENUMQVFPQN-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccc2ccccc2c1[O-] ZINC001117721936 1047239310 /nfs/dbraw/zinc/23/93/10/1047239310.db2.gz CXRBENUMQVFPQN-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1O ZINC000388481525 1047286901 /nfs/dbraw/zinc/28/69/01/1047286901.db2.gz BCFRFRVFSDIHTK-MRXNPFEDSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc(C)cc(CN2CC3(CCC3)[C@@H]2c2ccco2)c1O ZINC000840139245 1047288140 /nfs/dbraw/zinc/28/81/40/1047288140.db2.gz KGIXVZWPVFINKB-SFHVURJKSA-N 0 1 313.397 4.029 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cnn(C2CCC2)c1 ZINC000897876082 1047296231 /nfs/dbraw/zinc/29/62/31/1047296231.db2.gz MZKIHMCAWDGIDO-UHFFFAOYSA-N 0 1 312.200 4.233 20 10 DICDMN C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000391191204 1047303551 /nfs/dbraw/zinc/30/35/51/1047303551.db2.gz YSDRJLUVLIFZQB-HNNXBMFYSA-N 0 1 313.441 4.139 20 10 DICDMN Cc1ncc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)o1 ZINC000840795484 1047334615 /nfs/dbraw/zinc/33/46/15/1047334615.db2.gz HCMJOXLEZTWMSP-OAHLLOKOSA-N 0 1 313.445 4.214 20 10 DICDMN C[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)CC(F)(F)F ZINC000840874357 1047351984 /nfs/dbraw/zinc/35/19/84/1047351984.db2.gz YPHWBEABRZEPEI-IQJOONFLSA-N 0 1 305.315 4.258 20 10 DICDMN CC[C@H](NCc1c(O)cc(C)cc1Cl)c1nc(C)cs1 ZINC000840892262 1047357626 /nfs/dbraw/zinc/35/76/26/1047357626.db2.gz PBLSTJZPYDNQSX-ZDUSSCGKSA-N 0 1 310.850 4.360 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c(Cl)c1 ZINC000840936616 1047360198 /nfs/dbraw/zinc/36/01/98/1047360198.db2.gz MRASLDCJJAURCJ-UONOGXRCSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1nc2c(s1)[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)CCC2 ZINC000840937358 1047360636 /nfs/dbraw/zinc/36/06/36/1047360636.db2.gz RSABXGIVFUPMAK-ZDUSSCGKSA-N 0 1 322.861 4.286 20 10 DICDMN CC[C@](C)(NCc1ccc(N(C)C)cc1C)c1nc(C)cs1 ZINC000840934930 1047361541 /nfs/dbraw/zinc/36/15/41/1047361541.db2.gz ZTDBPPBKNPBAHP-SFHVURJKSA-N 0 1 317.502 4.241 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000840948264 1047362549 /nfs/dbraw/zinc/36/25/49/1047362549.db2.gz SNBVFPPUARQRPK-IBGZPJMESA-N 0 1 309.457 4.039 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)c(Cl)c1 ZINC000840950850 1047364067 /nfs/dbraw/zinc/36/40/67/1047364067.db2.gz PGHYRQWOZKTEBB-MLGOLLRUSA-N 0 1 317.816 4.356 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](C)c2nccs2)c(Cl)c1 ZINC000840940364 1047364331 /nfs/dbraw/zinc/36/43/31/1047364331.db2.gz ZCXLGDCGPJFWTL-NSHDSACASA-N 0 1 310.850 4.046 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](C)c2nccs2)c(Cl)c1 ZINC000840940364 1047364339 /nfs/dbraw/zinc/36/43/39/1047364339.db2.gz ZCXLGDCGPJFWTL-NSHDSACASA-N 0 1 310.850 4.046 20 10 DICDMN Cc1cc2cc(C[NH2+]Cc3cc(Cl)ccc3[O-])ccc2[nH]1 ZINC000796528569 1047378413 /nfs/dbraw/zinc/37/84/13/1047378413.db2.gz WAQCEYDFYHFEJH-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3c2CCCN3)c(Cl)c1 ZINC000841082012 1047380536 /nfs/dbraw/zinc/38/05/36/1047380536.db2.gz AYAFANWJIARAKT-UHFFFAOYSA-N 0 1 316.832 4.002 20 10 DICDMN COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841748262 1047448440 /nfs/dbraw/zinc/44/84/40/1047448440.db2.gz INVBQZOXDQQEEG-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748203 1047448466 /nfs/dbraw/zinc/44/84/66/1047448466.db2.gz IICPRGQOJHJGBA-APPDUMDISA-N 0 1 302.805 4.243 20 10 DICDMN CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747859 1047448517 /nfs/dbraw/zinc/44/85/17/1047448517.db2.gz FFFZITQXIUBTCV-RYUDHWBXSA-N 0 1 304.821 4.415 20 10 DICDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc2c(c1)OCO2 ZINC000841745491 1047448742 /nfs/dbraw/zinc/44/87/42/1047448742.db2.gz YYPKYHQUYSYTJI-QWRGUYRKSA-N 0 1 319.788 4.186 20 10 DICDMN C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1[O-] ZINC000841750877 1047450167 /nfs/dbraw/zinc/45/01/67/1047450167.db2.gz KAXHMYJPMZWAIR-GHMZBOCLSA-N 0 1 320.776 4.366 20 10 DICDMN COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccc1C ZINC000841747776 1047450386 /nfs/dbraw/zinc/45/03/86/1047450386.db2.gz SXUKHLHFVXRFGQ-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN CCCCn1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c(C)n1 ZINC000841752990 1047451455 /nfs/dbraw/zinc/45/14/55/1047451455.db2.gz WUYUDTGOYMZMKM-CYBMUJFWSA-N 0 1 321.852 4.201 20 10 DICDMN COCC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccc(C)o1 ZINC000841753826 1047452406 /nfs/dbraw/zinc/45/24/06/1047452406.db2.gz NQZUHZXAWPACLP-DOMZBBRYSA-N 0 1 323.820 4.375 20 10 DICDMN COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841760597 1047454039 /nfs/dbraw/zinc/45/40/39/1047454039.db2.gz SYCCRRZIVDXZAP-BDJLRTHQSA-N 0 1 317.816 4.392 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001142525019 1047465263 /nfs/dbraw/zinc/46/52/63/1047465263.db2.gz UBOOLCFQHRPQBG-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000323170472 1047475143 /nfs/dbraw/zinc/47/51/43/1047475143.db2.gz WIDVNXLYEIOPBF-AWEZNQCLSA-N 0 1 303.405 4.363 20 10 DICDMN C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000323170473 1047475392 /nfs/dbraw/zinc/47/53/92/1047475392.db2.gz WIDVNXLYEIOPBF-CQSZACIVSA-N 0 1 303.405 4.363 20 10 DICDMN COc1ccc(O)c([C@H](C)NC2(c3ccccc3Cl)CC2)c1 ZINC000842886012 1047511054 /nfs/dbraw/zinc/51/10/54/1047511054.db2.gz GDSXZRNPUNBGAA-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN C[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])CC(F)F ZINC000842890857 1047511697 /nfs/dbraw/zinc/51/16/97/1047511697.db2.gz UKUMYQHSZUSZRG-RKDXNWHRSA-N 0 1 322.193 4.097 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(Br)cc1[O-] ZINC000842889814 1047511862 /nfs/dbraw/zinc/51/18/62/1047511862.db2.gz HISIZQMCVDWDIN-DTWKUNHWSA-N 0 1 322.193 4.097 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000842890855 1047512565 /nfs/dbraw/zinc/51/25/65/1047512565.db2.gz UKUMYQHSZUSZRG-DTWKUNHWSA-N 0 1 322.193 4.097 20 10 DICDMN COc1ccccc1C1([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000842900049 1047512685 /nfs/dbraw/zinc/51/26/85/1047512685.db2.gz DJNJCLZQAGMKGR-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN Cc1cc2ccccc2c(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156920753 1047727463 /nfs/dbraw/zinc/72/74/63/1047727463.db2.gz LFTPKCQHLXWAQG-UHFFFAOYSA-N 0 1 305.425 4.246 20 10 DICDMN Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)c(C)c1 ZINC001157726747 1047751792 /nfs/dbraw/zinc/75/17/92/1047751792.db2.gz XACZQKXCZMIZHB-UHFFFAOYSA-N 0 1 313.788 4.218 20 10 DICDMN Cc1ccc(C(C)(C)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])nc1 ZINC001206672525 1047934478 /nfs/dbraw/zinc/93/44/78/1047934478.db2.gz OGIJDIOVXWSVCN-UHFFFAOYSA-N 0 1 318.848 4.125 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@@H]2c2cc(F)ccc2F)cc1 ZINC001203934651 1048063962 /nfs/dbraw/zinc/06/39/62/1048063962.db2.gz YSMYRWFGEMXKJH-LJQANCHMSA-N 0 1 316.395 4.368 20 10 DICDMN CC(C)c1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001199505420 1048072619 /nfs/dbraw/zinc/07/26/19/1048072619.db2.gz HDUUJZNIKSIRQZ-UHFFFAOYSA-N 0 1 323.484 4.174 20 10 DICDMN Oc1c(Cl)c(Cl)c(Cl)cc1Nc1ccncc1F ZINC001175204856 1048175902 /nfs/dbraw/zinc/17/59/02/1048175902.db2.gz XRNZOWBBEJSYKJ-UHFFFAOYSA-N 0 1 307.539 4.052 20 10 DICDMN Clc1oc2ccccc2c1CNCc1ccc2c(c1)CCO2 ZINC000776154259 1048237060 /nfs/dbraw/zinc/23/70/60/1048237060.db2.gz QRYYUXXKWAFNMP-UHFFFAOYSA-N 0 1 313.784 4.311 20 10 DICDMN Cc1ccc([C@H](C)[NH2+]Cc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000776222538 1048391498 /nfs/dbraw/zinc/39/14/98/1048391498.db2.gz NZBPODLIZBAMFH-NSHDSACASA-N 0 1 320.776 4.113 20 10 DICDMN Cc1cnc(N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c(N)c1 ZINC001163487589 1048477615 /nfs/dbraw/zinc/47/76/15/1048477615.db2.gz POIMETSUHGKTFO-QGZVFWFLSA-N 0 1 311.429 4.030 20 10 DICDMN CCN(CC)c1ccc(CNc2ccc3nc[nH]c3c2)cc1F ZINC001202349744 1048519205 /nfs/dbraw/zinc/51/92/05/1048519205.db2.gz FRYGEVAUFUCUJP-UHFFFAOYSA-N 0 1 312.392 4.160 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cccc(F)c1F ZINC000776309312 1048563994 /nfs/dbraw/zinc/56/39/94/1048563994.db2.gz BLISFCQEPTUSJJ-CYBMUJFWSA-N 0 1 304.384 4.190 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391642 1048646396 /nfs/dbraw/zinc/64/63/96/1048646396.db2.gz VZSDDHVXLFZKHY-UHFFFAOYSA-N 0 1 301.764 4.103 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850491888 1048670678 /nfs/dbraw/zinc/67/06/78/1048670678.db2.gz BBCZSSGOKFTYBF-ZBFHGGJFSA-N 0 1 312.457 4.069 20 10 DICDMN C[C@@H](N[C@@H](C)c1cscn1)c1cc2c(cc1O)CCCC2 ZINC000850512233 1048674467 /nfs/dbraw/zinc/67/44/67/1048674467.db2.gz YUQOPAVSJYISBH-NEPJUHHUSA-N 0 1 302.443 4.139 20 10 DICDMN C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000850526626 1048681189 /nfs/dbraw/zinc/68/11/89/1048681189.db2.gz RFLCHJGHMLSOBD-AWEZNQCLSA-N 0 1 301.430 4.401 20 10 DICDMN COCc1csc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000850533406 1048685106 /nfs/dbraw/zinc/68/51/06/1048685106.db2.gz XKSPFCBOVCTSMW-JTQLQIEISA-N 0 1 311.834 4.104 20 10 DICDMN Cc1ncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000109797508 1048743005 /nfs/dbraw/zinc/74/30/05/1048743005.db2.gz ZWGVSZQCGIOAFA-UHFFFAOYSA-N 0 1 302.443 4.102 20 10 DICDMN CC(C)C[C@@H](C)OC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001190975767 1048812141 /nfs/dbraw/zinc/81/21/41/1048812141.db2.gz LCZJWERXZHBZKN-SECBINFHSA-N 0 1 320.216 4.360 20 10 DICDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCCO2 ZINC000853094750 1048882348 /nfs/dbraw/zinc/88/23/48/1048882348.db2.gz MQIBXTBUXVBSAZ-GFCCVEGCSA-N 0 1 317.816 4.221 20 10 DICDMN COc1ccc(CN2CCC[C@@H]2c2c(F)cccc2F)c(O)c1 ZINC001203634776 1048944318 /nfs/dbraw/zinc/94/43/18/1048944318.db2.gz UUKWTWMIBKWXFO-MRXNPFEDSA-N 0 1 319.351 4.016 20 10 DICDMN Cc1ccccc1C[N@H+](C)Cc1cc(Br)ccc1O ZINC001203643050 1048945524 /nfs/dbraw/zinc/94/55/24/1048945524.db2.gz QSGAFDGWJZFGGI-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1ccccc1C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC001203643050 1048945527 /nfs/dbraw/zinc/94/55/27/1048945527.db2.gz QSGAFDGWJZFGGI-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1ccccc1C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC001203643050 1048945533 /nfs/dbraw/zinc/94/55/33/1048945533.db2.gz QSGAFDGWJZFGGI-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001203657210 1048950257 /nfs/dbraw/zinc/95/02/57/1048950257.db2.gz HPUCVGYLFXPBFJ-UHFFFAOYSA-N 0 1 305.849 4.446 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854227601 1048955599 /nfs/dbraw/zinc/95/55/99/1048955599.db2.gz WNVKORZBYCANPQ-IAGOWNOFSA-N 0 1 316.832 4.356 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCc2c(C)cccc2C)c(Cl)c1 ZINC001178003124 1048973174 /nfs/dbraw/zinc/97/31/74/1048973174.db2.gz KSWIMLBNICPRHI-UHFFFAOYSA-N 0 1 303.833 4.303 20 10 DICDMN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)CN(C)C2 ZINC001178095095 1048988235 /nfs/dbraw/zinc/98/82/35/1048988235.db2.gz ZYWKQAWNHFNICV-UHFFFAOYSA-N 0 1 305.425 4.044 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2(C)Cc3ccccc3C2)c(Cl)c1 ZINC001178188244 1048995669 /nfs/dbraw/zinc/99/56/69/1048995669.db2.gz QYORUCZXUOAVKF-UHFFFAOYSA-N 0 1 315.844 4.249 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000775483114 1049002855 /nfs/dbraw/zinc/00/28/55/1049002855.db2.gz LHBMUVPOWRWFKP-AWEZNQCLSA-N 0 1 319.788 4.015 20 10 DICDMN CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(Cl)ccc1[O-] ZINC000775492262 1049014141 /nfs/dbraw/zinc/01/41/41/1049014141.db2.gz ORFOXQIMOVQOSI-AWEZNQCLSA-N 0 1 319.788 4.015 20 10 DICDMN COc1ccc(C)cc1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000113315420 1049031455 /nfs/dbraw/zinc/03/14/55/1049031455.db2.gz ZFYKTRBXHYZUNI-AWEZNQCLSA-N 0 1 316.420 4.060 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccccc2OC)cc1 ZINC001203939332 1049035307 /nfs/dbraw/zinc/03/53/07/1049035307.db2.gz ORCVBRQRWHOPIU-UHFFFAOYSA-N 0 1 312.457 4.173 20 10 DICDMN CCc1nc(CN[C@@H](CC)c2cc(Cl)ccc2O)cs1 ZINC000775500915 1049040687 /nfs/dbraw/zinc/04/06/87/1049040687.db2.gz AVRUXXRFDYMKDD-ZDUSSCGKSA-N 0 1 310.850 4.305 20 10 DICDMN CC[C@H]([NH2+]CCCOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000775500460 1049043315 /nfs/dbraw/zinc/04/33/15/1049043315.db2.gz PNJWNFUOVSIPDO-INIZCTEOSA-N 0 1 311.853 4.436 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775508915 1049049437 /nfs/dbraw/zinc/04/94/37/1049049437.db2.gz YIGHGJWWXQZIJD-XPTSAGLGSA-N 0 1 308.809 4.452 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775508904 1049049630 /nfs/dbraw/zinc/04/96/30/1049049630.db2.gz YIGHGJWWXQZIJD-LKFCYVNXSA-N 0 1 308.809 4.452 20 10 DICDMN CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775513592 1049049826 /nfs/dbraw/zinc/04/98/26/1049049826.db2.gz PZHLESWVJKRWQF-CJNGLKHVSA-N 0 1 313.869 4.131 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775509403 1049051499 /nfs/dbraw/zinc/05/14/99/1049051499.db2.gz LREXEUVQOQVAPX-MGPLVRAMSA-N 0 1 322.836 4.322 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775509627 1049052486 /nfs/dbraw/zinc/05/24/86/1049052486.db2.gz SYCVNZQQPURUOT-JWZBEHFJSA-N 0 1 323.864 4.290 20 10 DICDMN CC[C@H]([NH2+]CCc1nc(C)c(C)s1)c1cc(Cl)ccc1[O-] ZINC000775513112 1049057628 /nfs/dbraw/zinc/05/76/28/1049057628.db2.gz GASUTERXZFNQRN-AWEZNQCLSA-N 0 1 324.877 4.402 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521805 1049078100 /nfs/dbraw/zinc/07/81/00/1049078100.db2.gz BCGNBGSHQCYHNW-UKRRQHHQSA-N 0 1 309.837 4.188 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c(Cl)c1 ZINC001178747296 1049080899 /nfs/dbraw/zinc/08/08/99/1049080899.db2.gz KYIIIBDVKHYMKT-LBPRGKRZSA-N 0 1 308.636 4.028 20 10 DICDMN CCN(C)c1ccc(CN[C@](C)(CC)c2nccs2)cc1 ZINC000773771095 1049089258 /nfs/dbraw/zinc/08/92/58/1049089258.db2.gz GAFZJBWVENLPRR-QGZVFWFLSA-N 0 1 303.475 4.014 20 10 DICDMN CCN(C)c1ccc(CN[C@@](C)(CC)c2nccs2)cc1 ZINC000773771089 1049089446 /nfs/dbraw/zinc/08/94/46/1049089446.db2.gz GAFZJBWVENLPRR-KRWDZBQOSA-N 0 1 303.475 4.014 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775526351 1049095233 /nfs/dbraw/zinc/09/52/33/1049095233.db2.gz QYZIMNGCJBOUDB-MRXNPFEDSA-N 0 1 323.795 4.434 20 10 DICDMN CC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775527686 1049096716 /nfs/dbraw/zinc/09/67/16/1049096716.db2.gz SMVYBSWEISVLDL-HOTGVXAUSA-N 0 1 311.853 4.028 20 10 DICDMN CC[C@H]([NH2+]CC1(CO)CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775527852 1049097927 /nfs/dbraw/zinc/09/79/27/1049097927.db2.gz VFHVRIBYKUPFDL-HNNXBMFYSA-N 0 1 311.853 4.029 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1cc(Br)ccc1[O-] ZINC000775527413 1049099471 /nfs/dbraw/zinc/09/94/71/1049099471.db2.gz XJWPZDMCFLOCRO-ZWNOBZJWSA-N 0 1 323.234 4.285 20 10 DICDMN CN(C)c1ccc(CN2CCc3occc3C2)c2ccccc21 ZINC001204239639 1049118973 /nfs/dbraw/zinc/11/89/73/1049118973.db2.gz AYFAVPYZYWFMLB-UHFFFAOYSA-N 0 1 306.409 4.057 20 10 DICDMN COc1ccc(F)c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000857081198 1049126008 /nfs/dbraw/zinc/12/60/08/1049126008.db2.gz NCHYMPQUNYGAGP-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccccc1O ZINC000775548400 1049140215 /nfs/dbraw/zinc/14/02/15/1049140215.db2.gz YPXVCPBKLYHIAP-QGZVFWFLSA-N 0 1 302.393 4.156 20 10 DICDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)c1ccccc1 ZINC001204315251 1049140883 /nfs/dbraw/zinc/14/08/83/1049140883.db2.gz TZKMVJMCAOMZRL-CQSZACIVSA-N 0 1 319.832 4.255 20 10 DICDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)c1ccccc1 ZINC001204315251 1049140885 /nfs/dbraw/zinc/14/08/85/1049140885.db2.gz TZKMVJMCAOMZRL-CQSZACIVSA-N 0 1 319.832 4.255 20 10 DICDMN CCN(C)c1ccc(CN[C@H](C)c2cccc(F)c2F)cc1 ZINC000773809951 1049150812 /nfs/dbraw/zinc/15/08/12/1049150812.db2.gz FGVBUMGKIIQMBS-CYBMUJFWSA-N 0 1 304.384 4.272 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2CCCCCC2)c1[O-] ZINC001193252195 1049192103 /nfs/dbraw/zinc/19/21/03/1049192103.db2.gz XUFJLRUIBPUVAT-LBPRGKRZSA-N 0 1 307.409 4.182 20 10 DICDMN CC(C)CC[N@@H+](Cc1c(O)cccc1Br)C1CC1 ZINC001179984684 1049242834 /nfs/dbraw/zinc/24/28/34/1049242834.db2.gz SZXYXSMNJMGUHO-UHFFFAOYSA-N 0 1 312.251 4.165 20 10 DICDMN CC(C)CC[N@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC001179984684 1049242846 /nfs/dbraw/zinc/24/28/46/1049242846.db2.gz SZXYXSMNJMGUHO-UHFFFAOYSA-N 0 1 312.251 4.165 20 10 DICDMN CC(C)CC[N@@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC001179984684 1049242853 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[O-]c1cc2ccccc2cc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172713916 1051497456 /nfs/dbraw/zinc/49/74/56/1051497456.db2.gz RSBPHRXNGLZLRJ-LJQANCHMSA-N 0 1 323.823 4.456 20 10 DICDMN C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(Br)cc1[O-] ZINC000806173861 1051745925 /nfs/dbraw/zinc/74/59/25/1051745925.db2.gz NIUJBGRZOCGWKT-JTQLQIEISA-N 0 1 316.214 4.088 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215367 1051902852 /nfs/dbraw/zinc/90/28/52/1051902852.db2.gz DYSGLBUOHFAAMJ-UHFFFAOYSA-N 0 1 315.800 4.041 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215367 1051902862 /nfs/dbraw/zinc/90/28/62/1051902862.db2.gz DYSGLBUOHFAAMJ-UHFFFAOYSA-N 0 1 315.800 4.041 20 10 DICDMN CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC000768231047 1051907010 /nfs/dbraw/zinc/90/70/10/1051907010.db2.gz UDCNPVAWIXOOKU-GFCCVEGCSA-N 0 1 321.367 4.262 20 10 DICDMN CCCC[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839940 1051934575 /nfs/dbraw/zinc/93/45/75/1051934575.db2.gz 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C[C@@H](NCc1ccc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000769788054 1052110165 /nfs/dbraw/zinc/11/01/65/1052110165.db2.gz GOFXIBJPSHBRLC-GFCCVEGCSA-N 0 1 323.362 4.017 20 10 DICDMN Nc1ccc(Cc2ccc(Nc3cccc4[nH]ncc43)cc2)cc1 ZINC001174345869 1052112616 /nfs/dbraw/zinc/11/26/16/1052112616.db2.gz YGULKOIPFSCCBO-UHFFFAOYSA-N 0 1 314.392 4.480 20 10 DICDMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000914784687 1052250804 /nfs/dbraw/zinc/25/08/04/1052250804.db2.gz IIIAZYKSEGSJFK-CJNGLKHVSA-N 0 1 305.462 4.406 20 10 DICDMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000914784686 1052251485 /nfs/dbraw/zinc/25/14/85/1052251485.db2.gz IIIAZYKSEGSJFK-BBRMVZONSA-N 0 1 305.462 4.406 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc2ccccc2c1[O-] ZINC000324389255 1052307841 /nfs/dbraw/zinc/30/78/41/1052307841.db2.gz PPKXUAOBSOMOTK-PBHICJAKSA-N 0 1 319.404 4.200 20 10 DICDMN COc1ccc(O)c(CNCc2csc(Cl)c2Cl)c1 ZINC000762442020 1052383914 /nfs/dbraw/zinc/38/39/14/1052383914.db2.gz 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CCC[N@H+](CCc1ccccn1)Cc1c([O-])ccc2ccccc21 ZINC001231590830 1053791996 /nfs/dbraw/zinc/79/19/96/1053791996.db2.gz NDNMFVWGIYVCFJ-UHFFFAOYSA-N 0 1 320.436 4.395 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1c([O-])ccc2ccccc21 ZINC001231590830 1053792000 /nfs/dbraw/zinc/79/20/00/1053792000.db2.gz NDNMFVWGIYVCFJ-UHFFFAOYSA-N 0 1 320.436 4.395 20 10 DICDMN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cccc(C)c1O ZINC001231594697 1053792562 /nfs/dbraw/zinc/79/25/62/1053792562.db2.gz NQWACUBILYKYEX-GOSISDBHSA-N 0 1 311.425 4.184 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cc(F)cnc1Cl ZINC001326621998 1053796167 /nfs/dbraw/zinc/79/61/67/1053796167.db2.gz BSDJKLUZRYJFAP-ZWNOBZJWSA-N 0 1 320.795 4.226 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)cc1Cl ZINC001231867514 1053894589 /nfs/dbraw/zinc/89/45/89/1053894589.db2.gz LSPMOCJNHXOGCF-LLVKDONJSA-N 0 1 303.780 4.221 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)cc1Cl ZINC001231867514 1053894607 /nfs/dbraw/zinc/89/46/07/1053894607.db2.gz 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1054006061 /nfs/dbraw/zinc/00/60/61/1054006061.db2.gz RHMCAZQCNYSLLC-ZDUSSCGKSA-N 0 1 323.845 4.453 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2c2cccs2)cc1Cl ZINC001232265222 1054006075 /nfs/dbraw/zinc/00/60/75/1054006075.db2.gz RHMCAZQCNYSLLC-ZDUSSCGKSA-N 0 1 323.845 4.453 20 10 DICDMN COc1cc([O-])c(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1Cl ZINC001232266951 1054006323 /nfs/dbraw/zinc/00/63/23/1054006323.db2.gz TUHZTIVTFYHTRK-GFCCVEGCSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1Cl ZINC001232266951 1054006328 /nfs/dbraw/zinc/00/63/28/1054006328.db2.gz TUHZTIVTFYHTRK-GFCCVEGCSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232270088 1054010493 /nfs/dbraw/zinc/01/04/93/1054010493.db2.gz SODBVOQBXOEEBQ-SWLSCSKDSA-N 0 1 309.837 4.209 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232270088 1054010508 /nfs/dbraw/zinc/01/05/08/1054010508.db2.gz SODBVOQBXOEEBQ-SWLSCSKDSA-N 0 1 309.837 4.209 20 10 DICDMN C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccc(Br)cc1[O-] ZINC001332341534 1054114470 /nfs/dbraw/zinc/11/44/70/1054114470.db2.gz WVQQFBJCRHHDRH-DLOVCJGASA-N 0 1 316.214 4.086 20 10 DICDMN C[C@H]1C[C@H](NCc2noc3ccccc32)c2c1c(F)ccc2O ZINC000848574206 1054157215 /nfs/dbraw/zinc/15/72/15/1054157215.db2.gz BYNHTOZWUOVBHZ-GWCFXTLKSA-N 0 1 312.344 4.011 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233073728 1054180557 /nfs/dbraw/zinc/18/05/57/1054180557.db2.gz CJLQKJFRZKXPJL-INIZCTEOSA-N 0 1 303.352 4.316 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233077332 1054183510 /nfs/dbraw/zinc/18/35/10/1054183510.db2.gz JNJORFSLGOSHNI-HNNXBMFYSA-N 0 1 319.351 4.016 20 10 DICDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001233078125 1054183729 /nfs/dbraw/zinc/18/37/29/1054183729.db2.gz GWOQOHHTVOIAIP-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN CC(C)[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193917 1054198259 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CO[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234997463 1054641915 /nfs/dbraw/zinc/64/19/15/1054641915.db2.gz ZSXOWNZDRGXAJS-GOSISDBHSA-N 0 1 311.425 4.060 20 10 DICDMN CO[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234997463 1054641924 /nfs/dbraw/zinc/64/19/24/1054641924.db2.gz ZSXOWNZDRGXAJS-GOSISDBHSA-N 0 1 311.425 4.060 20 10 DICDMN CC(C)(C)c1ccc(CN2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001235676067 1054770152 /nfs/dbraw/zinc/77/01/52/1054770152.db2.gz PICRLYWDRBIZHZ-OAHLLOKOSA-N 0 1 315.379 4.259 20 10 DICDMN CC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001236668353 1055221305 /nfs/dbraw/zinc/22/13/05/1055221305.db2.gz COQQRYWBCNILMX-GFCCVEGCSA-N 0 1 312.251 4.085 20 10 DICDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001236797386 1055260631 /nfs/dbraw/zinc/26/06/31/1055260631.db2.gz XMBOGVDPZSZAAR-GFCCVEGCSA-N 0 1 323.223 4.084 20 10 DICDMN CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794492 1055261772 /nfs/dbraw/zinc/26/17/72/1055261772.db2.gz 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C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055501 1055355986 /nfs/dbraw/zinc/35/59/86/1055355986.db2.gz NNHDXULHKUGBCC-GFCCVEGCSA-N 0 1 317.351 4.098 20 10 DICDMN C[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237120116 1055375024 /nfs/dbraw/zinc/37/50/24/1055375024.db2.gz MLJQQFRCWBXSHE-AWEZNQCLSA-N 0 1 321.314 4.005 20 10 DICDMN C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000386213624 1055435747 /nfs/dbraw/zinc/43/57/47/1055435747.db2.gz UIGLGKWTAAOFOZ-IFXJQAMLSA-N 0 1 313.441 4.137 20 10 DICDMN Cc1cccc(O)c1CN(C)Cc1ccccc1Br ZINC001237484063 1055458770 /nfs/dbraw/zinc/45/87/70/1055458770.db2.gz ZYGMDENGFDFNMS-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001237807022 1055533763 /nfs/dbraw/zinc/53/37/63/1055533763.db2.gz YFUUNZKFYBJCLH-UHFFFAOYSA-N 0 1 315.791 4.289 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237936797 1055560645 /nfs/dbraw/zinc/56/06/45/1055560645.db2.gz 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C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc2ccccc2c1[O-] ZINC000282382698 1057064057 /nfs/dbraw/zinc/06/40/57/1057064057.db2.gz JEQCDLSKHDDQSN-ACJLOTCBSA-N 0 1 321.424 4.007 20 10 DICDMN CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(C(C)C)no1 ZINC000282398343 1057070595 /nfs/dbraw/zinc/07/05/95/1057070595.db2.gz HNGVESQMMBLBRD-AWEZNQCLSA-N 0 1 317.433 4.262 20 10 DICDMN Cc1ncc(CN(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000125684008 1057077883 /nfs/dbraw/zinc/07/78/83/1057077883.db2.gz FYYDECJSYNDZHS-UHFFFAOYSA-N 0 1 315.486 4.074 20 10 DICDMN Cc1ccc(C)n1-c1ccc(-c2ccc3n[nH]c(C)c3c2)cn1 ZINC001241669246 1057128780 /nfs/dbraw/zinc/12/87/80/1057128780.db2.gz VMVUWBFHHUYHBR-UHFFFAOYSA-N 0 1 302.381 4.341 20 10 DICDMN CCCOCc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000113324080 1057349329 /nfs/dbraw/zinc/34/93/29/1057349329.db2.gz FHQFASWXADDSLZ-UHFFFAOYSA-N 0 1 319.832 4.262 20 10 DICDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@H](C)C(C)C ZINC000706847959 1057482679 /nfs/dbraw/zinc/48/26/79/1057482679.db2.gz YJSVXBNCJULVIB-LLVKDONJSA-N 0 1 300.240 4.021 20 10 DICDMN CN(c1ccc(-c2nccc3c2ccn3C)cn1)C1CCCCC1 ZINC001243594134 1057727068 /nfs/dbraw/zinc/72/70/68/1057727068.db2.gz AQASCGFZNMUMCX-UHFFFAOYSA-N 0 1 320.440 4.404 20 10 DICDMN Cc1ccc(O)c(CNCc2nc(-c3ccccc3)cs2)c1 ZINC000733324946 1057812633 /nfs/dbraw/zinc/81/26/33/1057812633.db2.gz NFPYIVWHAXVSQY-UHFFFAOYSA-N 0 1 310.422 4.114 20 10 DICDMN CC1(c2ccccc2)CC([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000733326759 1057812976 /nfs/dbraw/zinc/81/29/76/1057812976.db2.gz YAURWHQSWHUTQM-UHFFFAOYSA-N 0 1 301.817 4.256 20 10 DICDMN CC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883740 1060038444 /nfs/dbraw/zinc/03/84/44/1060038444.db2.gz PIAQEDNEFJBGSK-CYBMUJFWSA-N 0 1 323.864 4.144 20 10 DICDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883740 1060038463 /nfs/dbraw/zinc/03/84/63/1060038463.db2.gz PIAQEDNEFJBGSK-CYBMUJFWSA-N 0 1 323.864 4.144 20 10 DICDMN CSc1ccc(F)cc1CNCc1ccc(N(C)C)c(F)c1 ZINC001560353858 1060139936 /nfs/dbraw/zinc/13/99/36/1060139936.db2.gz YXRAEAURXDWCMY-UHFFFAOYSA-N 0 1 322.424 4.043 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC001560359351 1060145766 /nfs/dbraw/zinc/14/57/66/1060145766.db2.gz JDQLEFYLYGHFRG-SWLSCSKDSA-N 0 1 324.262 4.213 20 10 DICDMN C[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C1CCCCC1 ZINC001249224181 1060192588 /nfs/dbraw/zinc/19/25/88/1060192588.db2.gz TUJJXYQWSNOSSU-UHFFFAOYSA-N 0 1 301.430 4.341 20 10 DICDMN C[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)C1CCCCC1 ZINC001249224181 1060192593 /nfs/dbraw/zinc/19/25/93/1060192593.db2.gz TUJJXYQWSNOSSU-UHFFFAOYSA-N 0 1 301.430 4.341 20 10 DICDMN CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)ccc2O1 ZINC001249252668 1060205358 /nfs/dbraw/zinc/20/53/58/1060205358.db2.gz QDXHVUCHLDROES-PBHICJAKSA-N 0 1 313.441 4.341 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)c(Cl)c1 ZINC001560604744 1060416597 /nfs/dbraw/zinc/41/65/97/1060416597.db2.gz BHLQRVGFBZNNOK-ZDUSSCGKSA-N 0 1 311.853 4.039 20 10 DICDMN CCCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC001560658441 1060481573 /nfs/dbraw/zinc/48/15/73/1060481573.db2.gz XMKWAVNUUXASMJ-UHFFFAOYSA-N 0 1 312.251 4.228 20 10 DICDMN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676647 1060516567 /nfs/dbraw/zinc/51/65/67/1060516567.db2.gz IGSGAMGABYAALR-OLZOCXBDSA-N 0 1 313.894 4.460 20 10 DICDMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676647 1060516585 /nfs/dbraw/zinc/51/65/85/1060516585.db2.gz IGSGAMGABYAALR-OLZOCXBDSA-N 0 1 313.894 4.460 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC001560728375 1060593753 /nfs/dbraw/zinc/59/37/53/1060593753.db2.gz QLSQXELPIXCCME-OAHLLOKOSA-N 0 1 319.807 4.392 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc1Cl ZINC001560737117 1060606288 /nfs/dbraw/zinc/60/62/88/1060606288.db2.gz SQTWBPCLOVFDJR-HOTGVXAUSA-N 0 1 311.853 4.036 20 10 DICDMN Cc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(O)c1 ZINC001560868859 1060729575 /nfs/dbraw/zinc/72/95/75/1060729575.db2.gz PPWXELXDESHJDZ-OKILXGFUSA-N 0 1 301.352 4.254 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001560874121 1060735981 /nfs/dbraw/zinc/73/59/81/1060735981.db2.gz MYXXVEWLTFCDDV-UKRRQHHQSA-N 0 1 323.845 4.117 20 10 DICDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cc2cnccc2o1 ZINC001560913785 1060773403 /nfs/dbraw/zinc/77/34/03/1060773403.db2.gz QKTQMBUUMROEQT-SNVBAGLBSA-N 0 1 302.761 4.038 20 10 DICDMN Nc1ccc(Cc2ccccc2Nc2ccc3cncn3c2)cc1 ZINC001250332047 1060784658 /nfs/dbraw/zinc/78/46/58/1060784658.db2.gz QLVBXACCPNKQNO-UHFFFAOYSA-N 0 1 314.392 4.251 20 10 DICDMN CCc1cccc(CN2CCc3[nH]c4ccc(C)cc4c3C2)c1O ZINC001560922285 1060785200 /nfs/dbraw/zinc/78/52/00/1060785200.db2.gz POMPGJONJIGNIZ-UHFFFAOYSA-N 0 1 320.436 4.303 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c(Cl)c1 ZINC001560939246 1060802634 /nfs/dbraw/zinc/80/26/34/1060802634.db2.gz BUELSWRUKRGVII-OAHLLOKOSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(Cl)c1 ZINC001560939246 1060802647 /nfs/dbraw/zinc/80/26/47/1060802647.db2.gz BUELSWRUKRGVII-OAHLLOKOSA-N 0 1 317.816 4.007 20 10 DICDMN Oc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1O ZINC001250464970 1060821833 /nfs/dbraw/zinc/82/18/33/1060821833.db2.gz QOUQLRRDRDEDCV-UHFFFAOYSA-N 0 1 318.332 4.433 20 10 DICDMN [O-]c1c(C[NH2+]Cc2ccc3cccnc3c2)ccc2ccccc21 ZINC001560965990 1060830669 /nfs/dbraw/zinc/83/06/69/1060830669.db2.gz IZEMZKNHOBRGTH-UHFFFAOYSA-N 0 1 314.388 4.383 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC001561016704 1060872462 /nfs/dbraw/zinc/87/24/62/1060872462.db2.gz FKNUADWCYSOKSH-UHFFFAOYSA-N 0 1 304.821 4.099 20 10 DICDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC001561052169 1060900552 /nfs/dbraw/zinc/90/05/52/1060900552.db2.gz TYSPGJNPICBXQB-SFHVURJKSA-N 0 1 313.441 4.182 20 10 DICDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC001561052169 1060900570 /nfs/dbraw/zinc/90/05/70/1060900570.db2.gz TYSPGJNPICBXQB-SFHVURJKSA-N 0 1 313.441 4.182 20 10 DICDMN CCC[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CCCCC1 ZINC001473196591 1060954662 /nfs/dbraw/zinc/95/46/62/1060954662.db2.gz ZPHCKKJHLRRCAK-LJQANCHMSA-N 0 1 305.462 4.200 20 10 DICDMN Cc1ccc(CN2CC(Cc3c(F)cccc3Cl)C2)c(O)c1 ZINC001462322000 1061103994 /nfs/dbraw/zinc/10/39/94/1061103994.db2.gz OJYODQZQQWPIMD-UHFFFAOYSA-N 0 1 319.807 4.168 20 10 DICDMN COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC001462392809 1061146438 /nfs/dbraw/zinc/14/64/38/1061146438.db2.gz HIIXVRZIGVHXCV-OLZOCXBDSA-N 0 1 319.832 4.336 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001462444368 1061177859 /nfs/dbraw/zinc/17/78/59/1061177859.db2.gz KMCBWUDESASCRB-HYVNUMGLSA-N 0 1 320.219 4.127 20 10 DICDMN C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001462560867 1061261461 /nfs/dbraw/zinc/26/14/61/1061261461.db2.gz FQGNTZSMYQCMSR-INIZCTEOSA-N 0 1 309.331 4.320 20 10 DICDMN C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001462560867 1061261478 /nfs/dbraw/zinc/26/14/78/1061261478.db2.gz FQGNTZSMYQCMSR-INIZCTEOSA-N 0 1 309.331 4.320 20 10 DICDMN C[C@H](COCC1CCCCC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001462585836 1061277940 /nfs/dbraw/zinc/27/79/40/1061277940.db2.gz BVZCIKUHYPSGNG-CYBMUJFWSA-N 0 1 311.853 4.121 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001462584684 1061278674 /nfs/dbraw/zinc/27/86/74/1061278674.db2.gz FYTLMLHXXOYFTH-FZMZJTMJSA-N 0 1 319.754 4.210 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001462584684 1061278690 /nfs/dbraw/zinc/27/86/90/1061278690.db2.gz FYTLMLHXXOYFTH-FZMZJTMJSA-N 0 1 319.754 4.210 20 10 DICDMN CC1(C)CC[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])OC1 ZINC001462616954 1061298980 /nfs/dbraw/zinc/29/89/80/1061298980.db2.gz IKLMVJDZQCGPGM-KRWDZBQOSA-N 0 1 313.441 4.230 20 10 DICDMN Oc1cc(O)c(-c2nc3ccc(-c4cccs4)cc3[nH]2)cc1O ZINC001251359066 1061331747 /nfs/dbraw/zinc/33/17/47/1061331747.db2.gz ZJYFJWXMCKRVQA-UHFFFAOYSA-N 0 1 324.361 4.075 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC001473971365 1061516337 /nfs/dbraw/zinc/51/63/37/1061516337.db2.gz MHAMVFOPUQLLPX-UHFFFAOYSA-N 0 1 319.807 4.396 20 10 DICDMN Cc1cc(O)c(CNCc2cccc(Cl)c2F)c(Cl)c1 ZINC001474031461 1061573453 /nfs/dbraw/zinc/57/34/53/1061573453.db2.gz MDHSITCPEIFRST-UHFFFAOYSA-N 0 1 314.187 4.436 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(Cl)c2F)c(Cl)c1 ZINC001474031461 1061573476 /nfs/dbraw/zinc/57/34/76/1061573476.db2.gz MDHSITCPEIFRST-UHFFFAOYSA-N 0 1 314.187 4.436 20 10 DICDMN Cc1nc2cc(NC/C=C/c3ccc(N(C)C)cc3)ccc2n1C ZINC001474051636 1061598819 /nfs/dbraw/zinc/59/88/19/1061598819.db2.gz IURBKACUKARZPQ-AATRIKPKSA-N 0 1 320.440 4.073 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@H]1CCOc2ccc(F)cc21 ZINC001474113563 1061661198 /nfs/dbraw/zinc/66/11/98/1061661198.db2.gz ROYVDNLTYRDTRX-KRWDZBQOSA-N 0 1 324.399 4.239 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1noc2cc(F)ccc12 ZINC001474245787 1061813252 /nfs/dbraw/zinc/81/32/52/1061813252.db2.gz VHSWFXYTCXAXNP-UHFFFAOYSA-N 0 1 323.371 4.057 20 10 DICDMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001474358808 1061981391 /nfs/dbraw/zinc/98/13/91/1061981391.db2.gz VTUMACMDSVJTIR-IBGZPJMESA-N 0 1 317.379 4.224 20 10 DICDMN Cc1cccc(C[N@@H+](Cc2cccc(F)c2[O-])CC(C)C)c1 ZINC001474362866 1061989209 /nfs/dbraw/zinc/98/92/09/1061989209.db2.gz QVVPWENAVSEEAX-UHFFFAOYSA-N 0 1 301.405 4.498 20 10 DICDMN CC[C@@H](C)[C@H](C)[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC001474366994 1061997958 /nfs/dbraw/zinc/99/79/58/1061997958.db2.gz KLTXSJWSUFMUQZ-NEPJUHHUSA-N 0 1 311.853 4.453 20 10 DICDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC001474366994 1061997973 /nfs/dbraw/zinc/99/79/73/1061997973.db2.gz KLTXSJWSUFMUQZ-NEPJUHHUSA-N 0 1 311.853 4.453 20 10 DICDMN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(Cl)cc2[O-])s1 ZINC001474380177 1062027403 /nfs/dbraw/zinc/02/74/03/1062027403.db2.gz NBFKCEJONVXNKW-JTQLQIEISA-N 0 1 310.850 4.312 20 10 DICDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2[O-])s1 ZINC001474380177 1062027425 /nfs/dbraw/zinc/02/74/25/1062027425.db2.gz NBFKCEJONVXNKW-JTQLQIEISA-N 0 1 310.850 4.312 20 10 DICDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001474393522 1062048548 /nfs/dbraw/zinc/04/85/48/1062048548.db2.gz SOKDULKDHWYHLJ-LBPRGKRZSA-N 0 1 318.642 4.038 20 10 DICDMN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474420182 1062091996 /nfs/dbraw/zinc/09/19/96/1062091996.db2.gz PBYGGEDDZFREBX-NSHDSACASA-N 0 1 321.852 4.156 20 10 DICDMN Cc1ccc([C@H](NCc2ccc(C)cc2O)c2ccccn2)cc1 ZINC001474493717 1062173915 /nfs/dbraw/zinc/17/39/15/1062173915.db2.gz XMOLACWSVZTVJV-NRFANRHFSA-N 0 1 318.420 4.283 20 10 DICDMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001474505258 1062186937 /nfs/dbraw/zinc/18/69/37/1062186937.db2.gz RFRHBHXSFFABLN-WCQYABFASA-N 0 1 312.251 4.226 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(c3ccco3)CC2)cc1Cl ZINC001474618895 1062338576 /nfs/dbraw/zinc/33/85/76/1062338576.db2.gz HMOGYGGHVKGWDI-UHFFFAOYSA-N 0 1 305.805 4.327 20 10 DICDMN C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001474617636 1062338933 /nfs/dbraw/zinc/33/89/33/1062338933.db2.gz XUOOGQQKSHTVRB-ZDUSSCGKSA-N 0 1 305.418 4.144 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630670 1062353037 /nfs/dbraw/zinc/35/30/37/1062353037.db2.gz PSXMJTBVZHRZTC-RDTXWAMCSA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630670 1062353054 /nfs/dbraw/zinc/35/30/54/1062353054.db2.gz PSXMJTBVZHRZTC-RDTXWAMCSA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC001474630670 1062353068 /nfs/dbraw/zinc/35/30/68/1062353068.db2.gz PSXMJTBVZHRZTC-RDTXWAMCSA-N 0 1 323.864 4.135 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(Cl)ccc1F ZINC001459816902 1062423085 /nfs/dbraw/zinc/42/30/85/1062423085.db2.gz KNWOHPYOBJRPEM-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1O ZINC001255746552 1062568777 /nfs/dbraw/zinc/56/87/77/1062568777.db2.gz GVUCUHUSLOMKMV-ZDUSSCGKSA-N 0 1 305.418 4.144 20 10 DICDMN Cc1ccc(SC[C@H](C)[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001255769951 1062592327 /nfs/dbraw/zinc/59/23/27/1062592327.db2.gz JLVINFDLQZZCGA-HNNXBMFYSA-N 0 1 313.466 4.240 20 10 DICDMN Cc1cccc(OCCC[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC001461011137 1063185568 /nfs/dbraw/zinc/18/55/68/1063185568.db2.gz CFBJLAMLVJOJSI-UHFFFAOYSA-N 0 1 319.832 4.221 20 10 DICDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(OC(C)C)c1 ZINC001461280410 1063386491 /nfs/dbraw/zinc/38/64/91/1063386491.db2.gz GAXPEBMNEVDDDV-UHFFFAOYSA-N 0 1 319.832 4.431 20 10 DICDMN CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001258083697 1063506593 /nfs/dbraw/zinc/50/65/93/1063506593.db2.gz NHIOADUMFMVZFU-GFCCVEGCSA-N 0 1 312.251 4.379 20 10 DICDMN CC[N@H+](Cc1cccc(Cl)c1[O-])Cc1c(F)cccc1F ZINC001461840579 1063743128 /nfs/dbraw/zinc/74/31/28/1063743128.db2.gz ABBADAPUAJIAQL-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])Cc1c(F)cccc1F ZINC001461840579 1063743137 /nfs/dbraw/zinc/74/31/37/1063743137.db2.gz ABBADAPUAJIAQL-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CCN(C/C=C/c1ccc(N(C)C)cc1)Cc1ccccc1F ZINC001461876547 1063765855 /nfs/dbraw/zinc/76/58/55/1063765855.db2.gz WRAZBLCECFMVNE-BQYQJAHWSA-N 0 1 312.432 4.427 20 10 DICDMN CC(C)c1ccc(O)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001461891768 1063780808 /nfs/dbraw/zinc/78/08/08/1063780808.db2.gz IDLRWQYPTTXWLT-UHFFFAOYSA-N 0 1 314.385 4.056 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC001461904254 1063789662 /nfs/dbraw/zinc/78/96/62/1063789662.db2.gz SYRDTTXLCVLCJN-TZMCWYRMSA-N 0 1 315.841 4.045 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC001461904237 1063789746 /nfs/dbraw/zinc/78/97/46/1063789746.db2.gz SYRDTTXLCVLCJN-GXTWGEPZSA-N 0 1 315.841 4.045 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1Cl ZINC001461984133 1063858708 /nfs/dbraw/zinc/85/87/08/1063858708.db2.gz SHNNYZZGDSODGI-CYBMUJFWSA-N 0 1 319.832 4.123 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1Cl ZINC001461984133 1063858719 /nfs/dbraw/zinc/85/87/19/1063858719.db2.gz SHNNYZZGDSODGI-CYBMUJFWSA-N 0 1 319.832 4.123 20 10 DICDMN Cc1cccc2c1C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC001462081782 1063919324 /nfs/dbraw/zinc/91/93/24/1063919324.db2.gz HREXXINUJYNGQB-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN Cc1cccc2c1C[N@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001462081782 1063919336 /nfs/dbraw/zinc/91/93/36/1063919336.db2.gz HREXXINUJYNGQB-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN Cc1cccc2c1C[N@@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001462081782 1063919345 /nfs/dbraw/zinc/91/93/45/1063919345.db2.gz HREXXINUJYNGQB-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(Cl)cc1[O-] ZINC001462099823 1063929278 /nfs/dbraw/zinc/92/92/78/1063929278.db2.gz XEVYBRYILLHXBY-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(Cl)cc1[O-] ZINC001462099823 1063929286 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1065953596 /nfs/dbraw/zinc/95/35/96/1065953596.db2.gz LPHNZLQGYKPAMA-UHFFFAOYSA-N 0 1 318.848 4.430 20 10 DICDMN Cc1oc(-c2cccs2)nc1CN[C@H](C)c1ccccc1O ZINC001308506464 1066033899 /nfs/dbraw/zinc/03/38/99/1066033899.db2.gz RYWFXLGFLMMKIJ-LLVKDONJSA-N 0 1 314.410 4.268 20 10 DICDMN CCC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCc2ccccc2C1 ZINC001308590215 1066102813 /nfs/dbraw/zinc/10/28/13/1066102813.db2.gz DZGZCLHBNODVDL-GOSISDBHSA-N 0 1 313.416 4.301 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001308597140 1066108428 /nfs/dbraw/zinc/10/84/28/1066108428.db2.gz ONULDVRHOWAXNU-INIZCTEOSA-N 0 1 315.844 4.419 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001308597140 1066108432 /nfs/dbraw/zinc/10/84/32/1066108432.db2.gz ONULDVRHOWAXNU-INIZCTEOSA-N 0 1 315.844 4.419 20 10 DICDMN CC(C)[N@@H+](CCc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001308609271 1066115846 /nfs/dbraw/zinc/11/58/46/1066115846.db2.gz NMOFXXMUXBXFPF-UHFFFAOYSA-N 0 1 305.368 4.124 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1c(F)cc(C)cc1F ZINC001308618164 1066121008 /nfs/dbraw/zinc/12/10/08/1066121008.db2.gz SZLJKONZUDCCHG-UHFFFAOYSA-N 0 1 305.368 4.391 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1c(F)cc(C)cc1F ZINC001308618164 1066121006 /nfs/dbraw/zinc/12/10/06/1066121006.db2.gz SZLJKONZUDCCHG-UHFFFAOYSA-N 0 1 305.368 4.391 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])c1 ZINC001308658831 1066140608 /nfs/dbraw/zinc/14/06/08/1066140608.db2.gz SVMIUFXWHJFJJK-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccc([C@H](C)[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC001308660543 1066141986 /nfs/dbraw/zinc/14/19/86/1066141986.db2.gz JXDRNHSKYSNYKE-NSHDSACASA-N 0 1 323.795 4.386 20 10 DICDMN CCCCC[N@@H+](CCCOC)Cc1c([O-])ccc(Cl)c1F ZINC001308681736 1066153932 /nfs/dbraw/zinc/15/39/32/1066153932.db2.gz HEYKJRIYTPCYKQ-UHFFFAOYSA-N 0 1 317.832 4.213 20 10 DICDMN COc1cccc(Cl)c1CNCc1cc(C(C)C)ccc1O ZINC001308689102 1066181319 /nfs/dbraw/zinc/18/13/19/1066181319.db2.gz GHNNWKWIWTVAHQ-UHFFFAOYSA-N 0 1 319.832 4.467 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1[O-] ZINC001308716746 1066195932 /nfs/dbraw/zinc/19/59/32/1066195932.db2.gz WXGWXHODJZUTMP-UHFFFAOYSA-N 0 1 321.367 4.178 20 10 DICDMN CCC[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](O)c1ccccc1 ZINC001308735985 1066211521 /nfs/dbraw/zinc/21/15/21/1066211521.db2.gz NBLFNTPPPJUWSQ-FUHWJXTLSA-N 0 1 319.832 4.038 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1Cl ZINC001308764012 1066237041 /nfs/dbraw/zinc/23/70/41/1066237041.db2.gz CHZGPXVDLADQMG-UHFFFAOYSA-N 0 1 319.807 4.358 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1Cl ZINC001308766639 1066240222 /nfs/dbraw/zinc/24/02/22/1066240222.db2.gz NJNWSXWONXTJOF-ZDUSSCGKSA-N 0 1 322.663 4.418 20 10 DICDMN CC(C)c1ccc(O)c(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC001308778814 1066250249 /nfs/dbraw/zinc/25/02/49/1066250249.db2.gz KTFVQIAPZIDQKP-LJQANCHMSA-N 0 1 310.441 4.494 20 10 DICDMN CN(Cc1c(F)cccc1F)Cc1c(O)ccc(Cl)c1F ZINC001308778573 1066251754 /nfs/dbraw/zinc/25/17/54/1066251754.db2.gz UVILIUSLHRQPIN-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN Cc1cc(O)c(CN2Cc3ccccc3O[C@H](C)C2)c(Cl)c1 ZINC001308791392 1066265855 /nfs/dbraw/zinc/26/58/55/1066265855.db2.gz FALWXVHUQCWOQZ-CYBMUJFWSA-N 0 1 317.816 4.137 20 10 DICDMN COc1ccc([C@@H](NCc2ccc(C)cc2O)c2ccco2)cc1 ZINC001308820848 1066295435 /nfs/dbraw/zinc/29/54/35/1066295435.db2.gz OUSCUOFOCGFISA-HXUWFJFHSA-N 0 1 323.392 4.181 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC(C)(C)C[C@H]2C)c1 ZINC001308820094 1066296170 /nfs/dbraw/zinc/29/61/70/1066296170.db2.gz OZMFMOGNHIMJHG-LLVKDONJSA-N 0 1 312.251 4.084 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC001308835449 1066312527 /nfs/dbraw/zinc/31/25/27/1066312527.db2.gz XJLVNLAUNBPCPV-UHFFFAOYSA-N 0 1 308.208 4.478 20 10 DICDMN Cc1csc([C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001308928633 1066403515 /nfs/dbraw/zinc/40/35/15/1066403515.db2.gz QOTSDCPYRIFXPP-GFCCVEGCSA-N 0 1 322.861 4.108 20 10 DICDMN Cc1csc([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001308928633 1066403519 /nfs/dbraw/zinc/40/35/19/1066403519.db2.gz QOTSDCPYRIFXPP-GFCCVEGCSA-N 0 1 322.861 4.108 20 10 DICDMN Cc1csc([C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001308928633 1066403524 /nfs/dbraw/zinc/40/35/24/1066403524.db2.gz QOTSDCPYRIFXPP-GFCCVEGCSA-N 0 1 322.861 4.108 20 10 DICDMN Cc1cccc(C)c1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001308959624 1066419885 /nfs/dbraw/zinc/41/98/85/1066419885.db2.gz WQHHBWAGVZMFCA-UHFFFAOYSA-N 0 1 307.796 4.434 20 10 DICDMN CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(F)c2[O-])s1 ZINC000272297406 130016990 /nfs/dbraw/zinc/01/69/90/130016990.db2.gz PAWNBENOXORLSC-NSHDSACASA-N 0 1 308.422 4.052 20 10 DICDMN COCC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(C)o1 ZINC000273442534 130122583 /nfs/dbraw/zinc/12/25/83/130122583.db2.gz NBSUJYWBZDEFOD-WFASDCNBSA-N 0 1 323.820 4.375 20 10 DICDMN COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000273590482 130141815 /nfs/dbraw/zinc/14/18/15/130141815.db2.gz PAGVHYANKQXSBR-NWDGAFQWSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000273621756 130147230 /nfs/dbraw/zinc/14/72/30/130147230.db2.gz ZGNLQHCSTOEAER-MEBBXXQBSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc(Cl)ccc1[O-] ZINC000278450969 130692902 /nfs/dbraw/zinc/69/29/02/130692902.db2.gz LNPDCBBESYMPLF-LBPRGKRZSA-N 0 1 316.832 4.170 20 10 DICDMN CCN(CC)c1ccc(CNC(C)(C)c2c(C)noc2C)cc1 ZINC000285466194 131171000 /nfs/dbraw/zinc/17/10/00/131171000.db2.gz KFFGWEAJWXRBBV-UHFFFAOYSA-N 0 1 315.461 4.163 20 10 DICDMN Cc1ccc([C@@H](C)N[C@H](C)c2c(F)cncc2F)c(O)c1C ZINC000285540122 131178390 /nfs/dbraw/zinc/17/83/90/131178390.db2.gz DEPGWXNBLHGGKU-VXGBXAGGSA-N 0 1 306.356 4.094 20 10 DICDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000287197468 131268426 /nfs/dbraw/zinc/26/84/26/131268426.db2.gz WCYUZJJNPZURLV-CVEARBPZSA-N 0 1 321.424 4.298 20 10 DICDMN COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000186034276 333216550 /nfs/dbraw/zinc/21/65/50/333216550.db2.gz YWMRGMLRZIWBLY-WBMJQRKESA-N 0 1 305.805 4.084 20 10 DICDMN COCCC(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000183929876 333324868 /nfs/dbraw/zinc/32/48/68/333324868.db2.gz AMOMJBYYGQYTEZ-CQSZACIVSA-N 0 1 301.430 4.259 20 10 DICDMN CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccc(F)cn1 ZINC000479443626 339535242 /nfs/dbraw/zinc/53/52/42/339535242.db2.gz ZCSSBDAMIRRRCI-INIZCTEOSA-N 0 1 311.404 4.262 20 10 DICDMN C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185532043 525593029 /nfs/dbraw/zinc/59/30/29/525593029.db2.gz ZGEHSNLZTAGABE-SUMWQHHRSA-N 0 1 319.832 4.210 20 10 DICDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273571644 536153980 /nfs/dbraw/zinc/15/39/80/536153980.db2.gz KURFXLBNLLALMD-STQMWFEESA-N 0 1 304.459 4.440 20 10 DICDMN CCC1(C)C[NH+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001206194685 1049680176 /nfs/dbraw/zinc/68/01/76/1049680176.db2.gz KLADORZOVSJKOQ-UHFFFAOYSA-N 0 1 318.642 4.040 20 10 DICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001237083194 1055369127 /nfs/dbraw/zinc/36/91/27/1055369127.db2.gz ZUQVJQBDIIGTBV-MRVPVSSYSA-N 0 1 310.171 4.176 20 10 DICDMN COc1ccc([C@H](C)[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000083551564 1036895483 /nfs/dbraw/zinc/89/54/83/1036895483.db2.gz NZRTYNNSJXXSFD-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC[C@H]([NH2+]CCC(C)(F)F)c1cc(Br)ccc1[O-] ZINC000386199457 1037227841 /nfs/dbraw/zinc/22/78/41/1037227841.db2.gz SRPKIIVBRHBRLD-NSHDSACASA-N 0 1 322.193 4.241 20 10 DICDMN COc1ccc([C@H](C)[N@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC001140341230 1037481106 /nfs/dbraw/zinc/48/11/06/1037481106.db2.gz FJVLXAWJBLCDBW-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccc([C@H](C)[N@@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC001140341230 1037481116 /nfs/dbraw/zinc/48/11/16/1037481116.db2.gz FJVLXAWJBLCDBW-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)cccc1Cl ZINC001140342206 1037486784 /nfs/dbraw/zinc/48/67/84/1037486784.db2.gz XPCUXGOTSPOBAX-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])cccc1Cl ZINC001140342206 1037486795 /nfs/dbraw/zinc/48/67/95/1037486795.db2.gz XPCUXGOTSPOBAX-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c([O-])cccc1Cl ZINC001140342206 1037486804 /nfs/dbraw/zinc/48/68/04/1037486804.db2.gz XPCUXGOTSPOBAX-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CC[C@H]([NH2+]CCc1scnc1C)c1cc(Cl)ccc1[O-] ZINC000834881576 1037695900 /nfs/dbraw/zinc/69/59/00/1037695900.db2.gz UNTIWIMEUKTLDX-ZDUSSCGKSA-N 0 1 310.850 4.094 20 10 DICDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000707165588 1037873596 /nfs/dbraw/zinc/87/35/96/1037873596.db2.gz IUAVZCMWJMYBEV-CHWSQXEVSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000707165588 1037873606 /nfs/dbraw/zinc/87/36/06/1037873606.db2.gz IUAVZCMWJMYBEV-CHWSQXEVSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001140467247 1038167121 /nfs/dbraw/zinc/16/71/21/1038167121.db2.gz RNCVEBLCVJMUNJ-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001140467247 1038167126 /nfs/dbraw/zinc/16/71/26/1038167126.db2.gz RNCVEBLCVJMUNJ-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN Oc1cc(Cl)ccc1CN1CCSC[C@@H]1c1ccccc1 ZINC001140467247 1038167132 /nfs/dbraw/zinc/16/71/32/1038167132.db2.gz RNCVEBLCVJMUNJ-MRXNPFEDSA-N 0 1 319.857 4.336 20 10 DICDMN CCC(CC)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133209 1038953567 /nfs/dbraw/zinc/95/35/67/1038953567.db2.gz IRRZHSUQFFKYKK-UHFFFAOYSA-N 0 1 320.658 4.429 20 10 DICDMN CC1(C)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708134236 1038955940 /nfs/dbraw/zinc/95/59/40/1038955940.db2.gz PWGQVVRSSBYQMK-UHFFFAOYSA-N 0 1 318.642 4.040 20 10 DICDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCC[C@@H]1C1CC1)CCCC3 ZINC000728562420 1039278871 /nfs/dbraw/zinc/27/88/71/1039278871.db2.gz OENMNERNBOINAN-MRXNPFEDSA-N 0 1 311.425 4.392 20 10 DICDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCC[C@@H]1C1CC1)CCCC3 ZINC000728562420 1039278877 /nfs/dbraw/zinc/27/88/77/1039278877.db2.gz OENMNERNBOINAN-MRXNPFEDSA-N 0 1 311.425 4.392 20 10 DICDMN Cc1cccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000280062084 1040129608 /nfs/dbraw/zinc/12/96/08/1040129608.db2.gz KJVFKOHROLKCEL-HNNXBMFYSA-N 0 1 306.409 4.142 20 10 DICDMN CCOC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000318308342 1040503380 /nfs/dbraw/zinc/50/33/80/1040503380.db2.gz QBLASHXLGJTRLN-KDOFPFPSSA-N 0 1 301.430 4.257 20 10 DICDMN CCOC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000318308344 1040504175 /nfs/dbraw/zinc/50/41/75/1040504175.db2.gz QBLASHXLGJTRLN-KSSFIOAISA-N 0 1 301.430 4.257 20 10 DICDMN CCc1noc(CC)c1CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000166966102 1040513579 /nfs/dbraw/zinc/51/35/79/1040513579.db2.gz CTBVFKGYJAEXKU-QGZVFWFLSA-N 0 1 315.461 4.106 20 10 DICDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])c1ccsc1 ZINC000235520936 1040555162 /nfs/dbraw/zinc/55/51/62/1040555162.db2.gz UZZJTADCFAUCTE-VIFPVBQESA-N 0 1 312.232 4.067 20 10 DICDMN COC[C@@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000808699919 1041009316 /nfs/dbraw/zinc/00/93/16/1041009316.db2.gz DTBRZXFYURXZQF-SWLSCSKDSA-N 0 1 323.820 4.294 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000809728676 1041223879 /nfs/dbraw/zinc/22/38/79/1041223879.db2.gz FIMHZVNTRYPBIZ-OAHLLOKOSA-N 0 1 323.223 4.431 20 10 DICDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](C)c1cccnc1 ZINC000809765343 1041250572 /nfs/dbraw/zinc/25/05/72/1041250572.db2.gz MWJZEKZKRKVKPL-LLVKDONJSA-N 0 1 308.784 4.163 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212222 1041337818 /nfs/dbraw/zinc/33/78/18/1041337818.db2.gz OGINIIXMSPRVER-GXTWGEPZSA-N 0 1 317.351 4.021 20 10 DICDMN CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218008 1041338408 /nfs/dbraw/zinc/33/84/08/1041338408.db2.gz NQHKSPZNROBECN-DZGCQCFKSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218518 1041339289 /nfs/dbraw/zinc/33/92/89/1041339289.db2.gz AQZRAHATQTVZCL-KGLIPLIRSA-N 0 1 319.367 4.123 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221148 1041340204 /nfs/dbraw/zinc/34/02/04/1041340204.db2.gz LQSHGXXNCPBAND-DGCLKSJQSA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218519 1041340385 /nfs/dbraw/zinc/34/03/85/1041340385.db2.gz AQZRAHATQTVZCL-UONOGXRCSA-N 0 1 319.367 4.123 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229992 1041343160 /nfs/dbraw/zinc/34/31/60/1041343160.db2.gz PVZDPYQEOPLYHF-GXTWGEPZSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@@H]([NH2+]CCOC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810233076 1041345487 /nfs/dbraw/zinc/34/54/87/1041345487.db2.gz QDXMIHJDDVHFQB-CQSZACIVSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@H]([NH2+]CCc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208503 1041346738 /nfs/dbraw/zinc/34/67/38/1041346738.db2.gz VXNCUIJGALFMME-HNNXBMFYSA-N 0 1 324.346 4.089 20 10 DICDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2c(C)noc2C)cc1 ZINC000168178822 1041347666 /nfs/dbraw/zinc/34/76/66/1041347666.db2.gz ARFVXRCBXHHLPS-STQMWFEESA-N 0 1 301.434 4.159 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236886 1041352617 /nfs/dbraw/zinc/35/26/17/1041352617.db2.gz BFVKLCHDXVJCGO-GXFFZTMASA-N 0 1 319.392 4.205 20 10 DICDMN CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236887 1041353223 /nfs/dbraw/zinc/35/32/23/1041353223.db2.gz BFVKLCHDXVJCGO-MFKMUULPSA-N 0 1 319.392 4.205 20 10 DICDMN CC[C@@H](NCc1cc(C(C)C)no1)c1ccc(N(C)C)cc1 ZINC000169246931 1041360597 /nfs/dbraw/zinc/36/05/97/1041360597.db2.gz JFFLVWDUEUXRSW-QGZVFWFLSA-N 0 1 301.434 4.105 20 10 DICDMN C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc2ccccc2c1[O-] ZINC000328422615 1041434932 /nfs/dbraw/zinc/43/49/32/1041434932.db2.gz ZKAIIRYHJPTGCL-RHSMWYFYSA-N 0 1 319.404 4.200 20 10 DICDMN Cc1cc(N(C)C)ccc1CNCc1ccnc(Cl)c1Cl ZINC000811480557 1041528892 /nfs/dbraw/zinc/52/88/92/1041528892.db2.gz YDGKEOKIKQJVOE-UHFFFAOYSA-N 0 1 324.255 4.053 20 10 DICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1=CCCCCC1 ZINC000811529094 1041530338 /nfs/dbraw/zinc/53/03/38/1041530338.db2.gz KVPRVSREFNOCAB-UHFFFAOYSA-N 0 1 314.212 4.206 20 10 DICDMN Cc1nc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cs1 ZINC000318640999 1041593650 /nfs/dbraw/zinc/59/36/50/1041593650.db2.gz AGSYUTUJMDCHCN-LBPRGKRZSA-N 0 1 312.438 4.204 20 10 DICDMN Cc1ccc([C@H](C)NCc2coc(-c3cccs3)n2)c(O)c1 ZINC000185145816 1041607808 /nfs/dbraw/zinc/60/78/08/1041607808.db2.gz SKXISOLVQYOODU-LBPRGKRZSA-N 0 1 314.410 4.268 20 10 DICDMN C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185454138 1041614300 /nfs/dbraw/zinc/61/43/00/1041614300.db2.gz OFVWZVBMHARBBF-YCRPNKLZSA-N 0 1 321.420 4.104 20 10 DICDMN CN(C)c1ccc(CNC(C)(C)c2ccccc2F)cc1F ZINC000813791479 1041732504 /nfs/dbraw/zinc/73/25/04/1041732504.db2.gz BSBNGUZKWTVOHY-UHFFFAOYSA-N 0 1 304.384 4.056 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000813872996 1041739866 /nfs/dbraw/zinc/73/98/66/1041739866.db2.gz MVGUDXAXTXLQGO-NEPJUHHUSA-N 0 1 301.352 4.398 20 10 DICDMN CCCc1nc(C)c(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000813885656 1041742707 /nfs/dbraw/zinc/74/27/07/1041742707.db2.gz PWTFIBOXCSRJRV-MFKMUULPSA-N 0 1 318.392 4.118 20 10 DICDMN CCc1nc(C)c(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])o1 ZINC000813886899 1041743657 /nfs/dbraw/zinc/74/36/57/1041743657.db2.gz PQMBICQWKWNYJB-CYBMUJFWSA-N 0 1 308.809 4.145 20 10 DICDMN CC1(C)CN(Cc2c(O)ccc(Cl)c2F)[C@@H]1c1cccnc1 ZINC000814171663 1041777429 /nfs/dbraw/zinc/77/74/29/1041777429.db2.gz TUYARJWSHKYXIE-MRXNPFEDSA-N 0 1 320.795 4.163 20 10 DICDMN Cc1noc(C)c1CN(C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000124601458 1041842536 /nfs/dbraw/zinc/84/25/36/1041842536.db2.gz YKYCAOJGINRBOG-UHFFFAOYSA-N 0 1 316.445 4.235 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccc(C)cc1 ZINC000181709737 1041850795 /nfs/dbraw/zinc/85/07/95/1041850795.db2.gz DUKFNLMHGBRSKC-GOSISDBHSA-N 0 1 315.388 4.283 20 10 DICDMN COC1(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000815048565 1041906079 /nfs/dbraw/zinc/90/60/79/1041906079.db2.gz OMYPYKKHUVJKEC-UHFFFAOYSA-N 0 1 303.446 4.096 20 10 DICDMN COC1(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCC1 ZINC000815048565 1041906085 /nfs/dbraw/zinc/90/60/85/1041906085.db2.gz OMYPYKKHUVJKEC-UHFFFAOYSA-N 0 1 303.446 4.096 20 10 DICDMN COCC1(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000815641993 1041982700 /nfs/dbraw/zinc/98/27/00/1041982700.db2.gz OENCCVRXCQLASV-OAHLLOKOSA-N 0 1 313.441 4.403 20 10 DICDMN CC[C@H]([NH2+]CCC1(COC)CCC1)c1cc(Cl)ccc1[O-] ZINC000815643277 1041982851 /nfs/dbraw/zinc/98/28/51/1041982851.db2.gz YHPSIJGMWGSOCZ-HNNXBMFYSA-N 0 1 311.853 4.293 20 10 DICDMN CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000815651954 1041986985 /nfs/dbraw/zinc/98/69/85/1041986985.db2.gz JWRGPRXMCFMIJF-TZMCWYRMSA-N 0 1 319.367 4.001 20 10 DICDMN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c([O-])cccc1Cl)CCC2 ZINC000125583669 1042014968 /nfs/dbraw/zinc/01/49/68/1042014968.db2.gz VPKBKVPEHNRXEL-CQSZACIVSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c([O-])cccc1Cl)CCC2 ZINC000125583669 1042014974 /nfs/dbraw/zinc/01/49/74/1042014974.db2.gz VPKBKVPEHNRXEL-CQSZACIVSA-N 0 1 322.861 4.320 20 10 DICDMN CN(C)c1cccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])c1 ZINC000816519760 1042059931 /nfs/dbraw/zinc/05/99/31/1042059931.db2.gz UPENVSANJSCPKY-UHFFFAOYSA-N 0 1 320.436 4.243 20 10 DICDMN CN(C)c1cccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])c1 ZINC000816519760 1042059936 /nfs/dbraw/zinc/05/99/36/1042059936.db2.gz UPENVSANJSCPKY-UHFFFAOYSA-N 0 1 320.436 4.243 20 10 DICDMN COc1ccc(C)cc1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816530855 1042061754 /nfs/dbraw/zinc/06/17/54/1042061754.db2.gz XVVFJUXPGRMLMT-UHFFFAOYSA-N 0 1 321.420 4.195 20 10 DICDMN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816508306 1042062206 /nfs/dbraw/zinc/06/22/06/1042062206.db2.gz IPYGCKNLKBONPX-OAHLLOKOSA-N 0 1 321.420 4.314 20 10 DICDMN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816508306 1042062212 /nfs/dbraw/zinc/06/22/12/1042062212.db2.gz IPYGCKNLKBONPX-OAHLLOKOSA-N 0 1 321.420 4.314 20 10 DICDMN Oc1c(CN2CCOC[C@@H]2c2ccccc2)ccc2ccccc21 ZINC000816516079 1042062471 /nfs/dbraw/zinc/06/24/71/1042062471.db2.gz ULKDTKVPIWIJRL-HXUWFJFHSA-N 0 1 319.404 4.119 20 10 DICDMN [O-]c1c(C[NH2+]CCc2c(F)cccc2F)ccc2ccccc21 ZINC000816536489 1042063123 /nfs/dbraw/zinc/06/31/23/1042063123.db2.gz ZHAVDOHFICYYLD-UHFFFAOYSA-N 0 1 313.347 4.156 20 10 DICDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])Oc1ccccc1 ZINC000816551396 1042064376 /nfs/dbraw/zinc/06/43/76/1042064376.db2.gz ABTDRKHZDUPOGT-OAHLLOKOSA-N 0 1 307.393 4.103 20 10 DICDMN Cc1ccc(C[NH+](C)C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816527258 1042065768 /nfs/dbraw/zinc/06/57/68/1042065768.db2.gz CFHIBFJWMLTDNR-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN [O-]c1c(C[NH2+][C@H]2CCOc3ccc(F)cc32)ccc2ccccc21 ZINC000816584292 1042065918 /nfs/dbraw/zinc/06/59/18/1042065918.db2.gz HBXJPSYSUZWIKE-SFHVURJKSA-N 0 1 323.367 4.298 20 10 DICDMN COc1cc(CC[NH2+]Cc2ccc3ccccc3c2[O-])ccc1C ZINC000816553359 1042067875 /nfs/dbraw/zinc/06/78/75/1042067875.db2.gz RTWAPEDOMOBFFI-UHFFFAOYSA-N 0 1 321.420 4.195 20 10 DICDMN Cc1nc2cc(NCc3ccc4ccccc4c3O)ccc2n1C ZINC000816563861 1042068544 /nfs/dbraw/zinc/06/85/44/1042068544.db2.gz LWTRLBZPLMAJIR-UHFFFAOYSA-N 0 1 317.392 4.353 20 10 DICDMN Cc1cnc([C@H](C)C[NH2+]Cc2ccc3ccccc3c2[O-])s1 ZINC000816569266 1042069293 /nfs/dbraw/zinc/06/92/93/1042069293.db2.gz FGESJKWSSIVLSG-GFCCVEGCSA-N 0 1 312.438 4.204 20 10 DICDMN COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1c1ccccc1 ZINC000816630852 1042070141 /nfs/dbraw/zinc/07/01/41/1042070141.db2.gz UWHHIHLGEKRCGW-LJQANCHMSA-N 0 1 309.409 4.128 20 10 DICDMN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc2ccccc21 ZINC000816616164 1042073312 /nfs/dbraw/zinc/07/33/12/1042073312.db2.gz PPXSSQPJLSBYPT-UYAOXDASSA-N 0 1 323.436 4.079 20 10 DICDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc2ccccc21 ZINC000816616164 1042073320 /nfs/dbraw/zinc/07/33/20/1042073320.db2.gz PPXSSQPJLSBYPT-UYAOXDASSA-N 0 1 323.436 4.079 20 10 DICDMN CSC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616994 1042073919 /nfs/dbraw/zinc/07/39/19/1042073919.db2.gz LNDIQBLCPMPRTR-CQSZACIVSA-N 0 1 301.455 4.120 20 10 DICDMN CSC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816616994 1042073920 /nfs/dbraw/zinc/07/39/20/1042073920.db2.gz LNDIQBLCPMPRTR-CQSZACIVSA-N 0 1 301.455 4.120 20 10 DICDMN [O-]c1c(C[NH2+]C[C@H]2CC23CCSCC3)ccc2ccccc21 ZINC000817411734 1042108205 /nfs/dbraw/zinc/10/82/05/1042108205.db2.gz UVWHQMMSUUIGFK-MRXNPFEDSA-N 0 1 313.466 4.168 20 10 DICDMN COc1cc(Cl)ccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000817576256 1042116368 /nfs/dbraw/zinc/11/63/68/1042116368.db2.gz OXXWLLIPHMAYQK-CYBMUJFWSA-N 0 1 318.848 4.265 20 10 DICDMN COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000818327850 1042147277 /nfs/dbraw/zinc/14/72/77/1042147277.db2.gz JMEWWBSEIVBAMI-CYBMUJFWSA-N 0 1 318.848 4.265 20 10 DICDMN COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000818327852 1042147804 /nfs/dbraw/zinc/14/78/04/1042147804.db2.gz JMEWWBSEIVBAMI-ZDUSSCGKSA-N 0 1 318.848 4.265 20 10 DICDMN C[N@@H+](Cc1ccccc1O)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170945747 1042212450 /nfs/dbraw/zinc/21/24/50/1042212450.db2.gz XOWMPNDSZTWLIB-OAHLLOKOSA-N 0 1 301.817 4.035 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H]2CCCc3occc32)cc1F ZINC000236973782 1042440128 /nfs/dbraw/zinc/44/01/28/1042440128.db2.gz VQRDPLDCGYGIHC-QGZVFWFLSA-N 0 1 316.420 4.432 20 10 DICDMN CC[C@H](N[C@@H](COC)c1ccc(C)o1)c1ccc(C)cc1O ZINC000280036722 1042562174 /nfs/dbraw/zinc/56/21/74/1042562174.db2.gz IMYJIWDEJJAPND-HOTGVXAUSA-N 0 1 303.402 4.030 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccncc1Cl ZINC000421863914 1042658229 /nfs/dbraw/zinc/65/82/29/1042658229.db2.gz ZCJSVRIXLZSXEJ-CYBMUJFWSA-N 0 1 313.832 4.386 20 10 DICDMN CCSc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccn1 ZINC000825568148 1043134952 /nfs/dbraw/zinc/13/49/52/1043134952.db2.gz SOQONXFIGLLZFP-UHFFFAOYSA-N 0 1 322.861 4.151 20 10 DICDMN Cc1ccc(O)c([C@@H](C)NCc2nc(C(C)(C)C)cs2)c1 ZINC000185374158 1043201111 /nfs/dbraw/zinc/20/11/11/1043201111.db2.gz GQZIDBQDTCRBOM-GFCCVEGCSA-N 0 1 304.459 4.305 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(Cl)ccc1[O-] ZINC000186129021 1043214593 /nfs/dbraw/zinc/21/45/93/1043214593.db2.gz PWICMWLACAJEQN-OCCSQVGLSA-N 0 1 309.837 4.188 20 10 DICDMN Cc1ccc([C@H](C)NCc2noc3ccc(F)cc32)c(O)c1C ZINC000866511561 1043214610 /nfs/dbraw/zinc/21/46/10/1043214610.db2.gz QWWYYAVZXGTACQ-LBPRGKRZSA-N 0 1 314.360 4.140 20 10 DICDMN C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cc(Br)ccc1[O-] ZINC000760040486 1043227875 /nfs/dbraw/zinc/22/78/75/1043227875.db2.gz KSYKILUBPXXCIL-IINYFYTJSA-N 0 1 310.235 4.138 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000186615465 1043230916 /nfs/dbraw/zinc/23/09/16/1043230916.db2.gz FHCDOQVUVGRGEJ-GFCCVEGCSA-N 0 1 319.832 4.124 20 10 DICDMN Clc1ncc(CNCc2ccc(N3CCCCC3)cc2)s1 ZINC000895155765 1043373269 /nfs/dbraw/zinc/37/32/69/1043373269.db2.gz NTCOXTWLQVLUGA-UHFFFAOYSA-N 0 1 321.877 4.077 20 10 DICDMN COCC(C)(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000872104826 1043461283 /nfs/dbraw/zinc/46/12/83/1043461283.db2.gz QVLKBYCEXRGJHN-CQSZACIVSA-N 0 1 301.430 4.259 20 10 DICDMN CCCOc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1C ZINC000873052541 1043512963 /nfs/dbraw/zinc/51/29/63/1043512963.db2.gz YTAOEFXXUXTAFU-MRXNPFEDSA-N 0 1 315.461 4.412 20 10 DICDMN CCCOc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1C ZINC000873101394 1043516402 /nfs/dbraw/zinc/51/64/02/1043516402.db2.gz DWJCJWVXIQZWGD-AWEZNQCLSA-N 0 1 302.393 4.169 20 10 DICDMN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000124408330 1043519319 /nfs/dbraw/zinc/51/93/19/1043519319.db2.gz RDJVBSXIWNCJKI-STQMWFEESA-N 0 1 304.384 4.443 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(c3ccncc3)CC2)cc1Cl ZINC000825903886 1043712105 /nfs/dbraw/zinc/71/21/05/1043712105.db2.gz VMDVFQUGDBZHGF-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1csc([C@H]2CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000877813689 1043804693 /nfs/dbraw/zinc/80/46/93/1043804693.db2.gz JKEBWVBJOROPPI-INIZCTEOSA-N 0 1 324.449 4.300 20 10 DICDMN Cc1csc([C@H]2CC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)n1 ZINC000877813689 1043804714 /nfs/dbraw/zinc/80/47/14/1043804714.db2.gz JKEBWVBJOROPPI-INIZCTEOSA-N 0 1 324.449 4.300 20 10 DICDMN C[C@H](NCc1cc(C(F)(F)F)co1)c1ccc(N(C)C)cc1 ZINC000878454768 1043896519 /nfs/dbraw/zinc/89/65/19/1043896519.db2.gz HXLWFDHVJAKKER-NSHDSACASA-N 0 1 312.335 4.215 20 10 DICDMN Cc1cc(O)c(CN[C@@H](C)c2nccn2-c2ccccc2)cc1C ZINC000290179751 1043926969 /nfs/dbraw/zinc/92/69/69/1043926969.db2.gz RSIRMCKFYKHCGN-INIZCTEOSA-N 0 1 321.424 4.046 20 10 DICDMN CC(C)CCc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000879648864 1043979732 /nfs/dbraw/zinc/97/97/32/1043979732.db2.gz FJPRWCHJKLQFRQ-CYBMUJFWSA-N 0 1 304.459 4.288 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000036387989 1044145184 /nfs/dbraw/zinc/14/51/84/1044145184.db2.gz URQGKUOOGOCPFA-UHFFFAOYSA-N 0 1 315.722 4.354 20 10 DICDMN COc1ccc(C2CC2)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000883258989 1044249670 /nfs/dbraw/zinc/24/96/70/1044249670.db2.gz XNOVQVGPNSTNSY-UHFFFAOYSA-N 0 1 317.816 4.221 20 10 DICDMN CCCc1nc(C)c(CN[C@H](C)c2ccc(N(C)CC)cc2)o1 ZINC000293380550 1044278539 /nfs/dbraw/zinc/27/85/39/1044278539.db2.gz IGURUWPGCJGDQB-CQSZACIVSA-N 0 1 315.461 4.242 20 10 DICDMN CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc(Cl)ccc1[O-] ZINC000883381846 1044294901 /nfs/dbraw/zinc/29/49/01/1044294901.db2.gz UMBYRBYZXOSCBE-OAHLLOKOSA-N 0 1 309.837 4.046 20 10 DICDMN CC[C@H]([NH2+]C[C@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000840836498 1044356600 /nfs/dbraw/zinc/35/66/00/1044356600.db2.gz ZEXRLHCGMNMQLQ-RISCZKNCSA-N 0 1 319.367 4.124 20 10 DICDMN C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(F)c(F)c1O ZINC000295012924 1044481158 /nfs/dbraw/zinc/48/11/58/1044481158.db2.gz MYDFUAWGPVAKEV-DGCLKSJQSA-N 0 1 319.351 4.347 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnccn1 ZINC000119348096 1044494608 /nfs/dbraw/zinc/49/46/08/1044494608.db2.gz GOTSDGXXJPIYLU-MRXNPFEDSA-N 0 1 324.472 4.096 20 10 DICDMN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ncc(Cl)s1 ZINC000719442295 1044610089 /nfs/dbraw/zinc/61/00/89/1044610089.db2.gz SHECLDQYSDRBBR-UWVGGRQHSA-N 0 1 308.834 4.149 20 10 DICDMN C[C@H](NCc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000296535913 1044623911 /nfs/dbraw/zinc/62/39/11/1044623911.db2.gz QSWASSPBYXAASP-LBPRGKRZSA-N 0 1 323.362 4.017 20 10 DICDMN Oc1ccc(-c2ccccc2)cc1CNCc1cc(C2CC2)no1 ZINC000886272537 1044628774 /nfs/dbraw/zinc/62/87/74/1044628774.db2.gz SFKXVRISMYOMCE-UHFFFAOYSA-N 0 1 320.392 4.214 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(Cl)ccc1[O-] ZINC000363885535 1044652436 /nfs/dbraw/zinc/65/24/36/1044652436.db2.gz IJVMATBBFZJJPF-ZUZCIYMTSA-N 0 1 321.779 4.359 20 10 DICDMN CC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cn1 ZINC000779010033 1045125216 /nfs/dbraw/zinc/12/52/16/1045125216.db2.gz JYRSRADHWRCGEO-GOSISDBHSA-N 0 1 313.420 4.062 20 10 DICDMN CC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cn1 ZINC000779010039 1045125734 /nfs/dbraw/zinc/12/57/34/1045125734.db2.gz JYRSRADHWRCGEO-SFHVURJKSA-N 0 1 313.420 4.062 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cl)cn1 ZINC000777507036 1045159431 /nfs/dbraw/zinc/15/94/31/1045159431.db2.gz MTWZNXUUWQVTNC-UHFFFAOYSA-N 0 1 303.576 4.360 20 10 DICDMN CCC[N@@H+](Cc1nc2ccccc2s1)Cc1ccccc1O ZINC000750875209 1045565397 /nfs/dbraw/zinc/56/53/97/1045565397.db2.gz PYJWCVMDVRLZNG-UHFFFAOYSA-N 0 1 312.438 4.414 20 10 DICDMN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600135 1045620037 /nfs/dbraw/zinc/62/00/37/1045620037.db2.gz GXKABYRFLJOWRQ-YJBOKZPZSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600135 1045620042 /nfs/dbraw/zinc/62/00/42/1045620042.db2.gz GXKABYRFLJOWRQ-YJBOKZPZSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cc(Cl)ccc1[O-] ZINC000800987426 1045678263 /nfs/dbraw/zinc/67/82/63/1045678263.db2.gz XSRVYGACWORHHP-SWLSCSKDSA-N 0 1 317.816 4.090 20 10 DICDMN CCCCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000801595790 1045747836 /nfs/dbraw/zinc/74/78/36/1045747836.db2.gz UEBYHPZJGSKYDK-UHFFFAOYSA-N 0 1 320.414 4.164 20 10 DICDMN Cc1cc(CN(C)Cc2cccnc2)ccc1N1CCCCC1 ZINC000828485969 1045909839 /nfs/dbraw/zinc/90/98/39/1045909839.db2.gz BHQAJMIYWSFTDT-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN Cc1cc(CN(C)Cc2ccncc2)c(C)n1-c1ccccc1 ZINC001137854013 1045984951 /nfs/dbraw/zinc/98/49/51/1045984951.db2.gz DYOKBXKBRDIIIT-UHFFFAOYSA-N 0 1 305.425 4.121 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756369199 1046072111 /nfs/dbraw/zinc/07/21/11/1046072111.db2.gz BBZRPBURJPVIBV-ABAIWWIYSA-N 0 1 324.877 4.061 20 10 DICDMN C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756379307 1046074661 /nfs/dbraw/zinc/07/46/61/1046074661.db2.gz NCHKTSQWDAOSPM-QWRGUYRKSA-N 0 1 324.218 4.030 20 10 DICDMN CCn1nc(C)c(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1C ZINC000756534887 1046096863 /nfs/dbraw/zinc/09/68/63/1046096863.db2.gz LKJWNZDORICGMD-CYBMUJFWSA-N 0 1 323.440 4.229 20 10 DICDMN COc1ccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1F ZINC000756539359 1046097322 /nfs/dbraw/zinc/09/73/22/1046097322.db2.gz MLQVHRVUGZCARO-NSHDSACASA-N 0 1 323.795 4.087 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756554279 1046099084 /nfs/dbraw/zinc/09/90/84/1046099084.db2.gz ORIJQTBEPUZFBH-QWHCGFSZSA-N 0 1 317.816 4.263 20 10 DICDMN C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000756576150 1046103226 /nfs/dbraw/zinc/10/32/26/1046103226.db2.gz KQXPXROBQCNCAX-SNVBAGLBSA-N 0 1 311.759 4.217 20 10 DICDMN CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756584984 1046104402 /nfs/dbraw/zinc/10/44/02/1046104402.db2.gz IAKPTPFBOOYCFH-HOCLYGCPSA-N 0 1 301.430 4.401 20 10 DICDMN C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000756603771 1046108617 /nfs/dbraw/zinc/10/86/17/1046108617.db2.gz KTNYEGSPPOUFFL-MGPUTAFESA-N 0 1 321.420 4.320 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1c(C)nn(C)c1C ZINC000756615693 1046109673 /nfs/dbraw/zinc/10/96/73/1046109673.db2.gz FUJQULOSFWLQDZ-BMIGLBTASA-N 0 1 321.852 4.198 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000756628500 1046111767 /nfs/dbraw/zinc/11/17/67/1046111767.db2.gz MRVJCHLUDVKMDY-LIRRHRJNSA-N 0 1 313.441 4.401 20 10 DICDMN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000756639033 1046113801 /nfs/dbraw/zinc/11/38/01/1046113801.db2.gz VQJRQYMZGRTSCN-BOUXLOLZSA-N 0 1 313.441 4.137 20 10 DICDMN Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756640464 1046116020 /nfs/dbraw/zinc/11/60/20/1046116020.db2.gz MPGNDKMSZQORMJ-CYBMUJFWSA-N 0 1 324.424 4.434 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)c2c1c(F)ccc2[O-] ZINC000756647489 1046116094 /nfs/dbraw/zinc/11/60/94/1046116094.db2.gz GZMVNTHQSXPRBM-UKRRQHHQSA-N 0 1 321.436 4.002 20 10 DICDMN Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756640470 1046116325 /nfs/dbraw/zinc/11/63/25/1046116325.db2.gz MPGNDKMSZQORMJ-ZDUSSCGKSA-N 0 1 324.424 4.434 20 10 DICDMN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756684676 1046119615 /nfs/dbraw/zinc/11/96/15/1046119615.db2.gz PESBLSZQVLZACI-MLGOLLRUSA-N 0 1 317.816 4.447 20 10 DICDMN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756684679 1046119871 /nfs/dbraw/zinc/11/98/71/1046119871.db2.gz PESBLSZQVLZACI-WBMJQRKESA-N 0 1 317.816 4.447 20 10 DICDMN c1cc2c(s1)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138219972 1046120910 /nfs/dbraw/zinc/12/09/10/1046120910.db2.gz VXNJJJOHGZGPOH-UHFFFAOYSA-N 0 1 312.482 4.297 20 10 DICDMN FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219501 1046121216 /nfs/dbraw/zinc/12/12/16/1046121216.db2.gz DQXKSQSTQGDHEY-HNNXBMFYSA-N 0 1 312.379 4.061 20 10 DICDMN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])CO2 ZINC000756758462 1046127669 /nfs/dbraw/zinc/12/76/69/1046127669.db2.gz FSYKVWXUGYHKGR-IAQYHMDHSA-N 0 1 303.789 4.138 20 10 DICDMN CCOCCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000756762028 1046127878 /nfs/dbraw/zinc/12/78/78/1046127878.db2.gz VZYBMMZPPZLQAK-DZGCQCFKSA-N 0 1 321.436 4.266 20 10 DICDMN Cc1c(CN2CCC[C@H]2c2nccs2)c2ccccc2n1C ZINC001138258343 1046132094 /nfs/dbraw/zinc/13/20/94/1046132094.db2.gz QTDGKUGSIZXAJP-KRWDZBQOSA-N 0 1 311.454 4.280 20 10 DICDMN CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756786131 1046133199 /nfs/dbraw/zinc/13/31/99/1046133199.db2.gz JPPBUZRHKOVJIG-NWDGAFQWSA-N 0 1 304.821 4.415 20 10 DICDMN CCCCn1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c(C)n1 ZINC000756788467 1046135114 /nfs/dbraw/zinc/13/51/14/1046135114.db2.gz VESKWBAGDSLNPW-ZDUSSCGKSA-N 0 1 321.852 4.201 20 10 DICDMN C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccc(Cl)cc1[O-] ZINC000903183064 1046185578 /nfs/dbraw/zinc/18/55/78/1046185578.db2.gz ZMYPOJFAQHEJAC-GFCCVEGCSA-N 0 1 316.832 4.170 20 10 DICDMN CC[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(Cl)ccc1[O-] ZINC000903191244 1046189156 /nfs/dbraw/zinc/18/91/56/1046189156.db2.gz QXVZBDGJJWARIA-GFCCVEGCSA-N 0 1 322.861 4.232 20 10 DICDMN CC[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(Cl)ccc1[O-] ZINC000903191245 1046189969 /nfs/dbraw/zinc/18/99/69/1046189969.db2.gz QXVZBDGJJWARIA-LBPRGKRZSA-N 0 1 322.861 4.232 20 10 DICDMN COCC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccco1 ZINC000757640278 1046195906 /nfs/dbraw/zinc/19/59/06/1046195906.db2.gz XEOSNPDDMKSZOM-RISCZKNCSA-N 0 1 309.793 4.067 20 10 DICDMN Cc1ccc([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c(O)c1C ZINC000757663096 1046199930 /nfs/dbraw/zinc/19/99/30/1046199930.db2.gz HTBFDRFMYWMKTH-NHYWBVRUSA-N 0 1 319.351 4.072 20 10 DICDMN CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cc(Cl)ccc1[O-] ZINC000903283635 1046222447 /nfs/dbraw/zinc/22/24/47/1046222447.db2.gz RZTOSNRYBZKWOA-GDDYJNFWSA-N 0 1 309.837 4.044 20 10 DICDMN Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000903303815 1046230398 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MTOIPOCPKXLGTN-UHFFFAOYSA-N 0 1 316.404 4.013 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001139683353 1046498480 /nfs/dbraw/zinc/49/84/80/1046498480.db2.gz HNDZYHGRUBVEPD-CQSZACIVSA-N 0 1 303.352 4.050 20 10 DICDMN C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1O ZINC000359974140 1046529873 /nfs/dbraw/zinc/52/98/73/1046529873.db2.gz NFAZUCYTXCJCGK-VBKZILBWSA-N 0 1 322.383 4.367 20 10 DICDMN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cc(F)ccc1O ZINC001140060194 1046577053 /nfs/dbraw/zinc/57/70/53/1046577053.db2.gz OUQJEIKZWJYOQF-QGZVFWFLSA-N 0 1 315.388 4.015 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001140055167 1046579241 /nfs/dbraw/zinc/57/92/41/1046579241.db2.gz MWGLXXILIMYEON-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN CCN(Cc1cccc(F)c1F)Cc1c(C)ccc(C)c1O ZINC001140185373 1046609721 /nfs/dbraw/zinc/60/97/21/1046609721.db2.gz UHEFOZGKNUGDAC-UHFFFAOYSA-N 0 1 305.368 4.309 20 10 DICDMN COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841747977 1046615069 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CCCc1ncc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000834898838 1046709333 /nfs/dbraw/zinc/70/93/33/1046709333.db2.gz HBVVOXBRWGFNIL-ZDUSSCGKSA-N 0 1 314.429 4.062 20 10 DICDMN C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000834901829 1046711906 /nfs/dbraw/zinc/71/19/06/1046711906.db2.gz DCNXEFYNGPPIQY-GCVQQVDUSA-N 0 1 319.779 4.247 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000834911111 1046718270 /nfs/dbraw/zinc/71/82/70/1046718270.db2.gz RSOHKPVWDJOOED-CABCVRRESA-N 0 1 313.441 4.401 20 10 DICDMN Oc1cc(Cl)ccc1C[N@H+]1CCSc2ccccc2C1 ZINC001140464155 1046735505 /nfs/dbraw/zinc/73/55/05/1046735505.db2.gz DVSOIOMOOVOJLM-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCSc2ccccc2C1 ZINC001140464155 1046735519 /nfs/dbraw/zinc/73/55/19/1046735519.db2.gz DVSOIOMOOVOJLM-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCSc2ccccc2C1 ZINC001140464155 1046735534 /nfs/dbraw/zinc/73/55/34/1046735534.db2.gz 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/nfs/dbraw/zinc/73/95/91/1046739591.db2.gz RIXCEAYLFGBBJS-UHFFFAOYSA-N 0 1 317.816 4.139 20 10 DICDMN CC(C)c1csc(CNC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835042493 1046746442 /nfs/dbraw/zinc/74/64/42/1046746442.db2.gz IXJFUUBEGCIAHI-WAYWQWQTSA-N 0 1 315.486 4.136 20 10 DICDMN CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000835053891 1046751580 /nfs/dbraw/zinc/75/15/80/1046751580.db2.gz PZRCVHVVFDVSAQ-IWAYRVGRSA-N 0 1 309.457 4.244 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000835071494 1046754660 /nfs/dbraw/zinc/75/46/60/1046754660.db2.gz YUPOHNWWPJDOGM-UHFFFAOYSA-N 0 1 322.383 4.244 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000835071494 1046754674 /nfs/dbraw/zinc/75/46/74/1046754674.db2.gz YUPOHNWWPJDOGM-UHFFFAOYSA-N 0 1 322.383 4.244 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2c([O-])cc(F)cc2F)c1 ZINC001140582383 1046793291 /nfs/dbraw/zinc/79/32/91/1046793291.db2.gz HCRNSFFNORZBRQ-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(C)c(C)c2)c(Cl)c1 ZINC001203068365 1046909959 /nfs/dbraw/zinc/90/99/59/1046909959.db2.gz RWUYMMQDPNTQCY-UHFFFAOYSA-N 0 1 303.833 4.303 20 10 DICDMN Cc1ccc(CN2CCSC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001140950956 1046961117 /nfs/dbraw/zinc/96/11/17/1046961117.db2.gz QMNRBZOWKQQDDO-QGZVFWFLSA-N 0 1 317.429 4.130 20 10 DICDMN C[N@@H+](CCCOCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000798963741 1046992825 /nfs/dbraw/zinc/99/28/25/1046992825.db2.gz CMVHKNBYQFMTHO-UHFFFAOYSA-N 0 1 319.832 4.084 20 10 DICDMN Oc1ccc2ccccc2c1CN1CCC=C(Br)C1 ZINC000799573830 1047044367 /nfs/dbraw/zinc/04/43/67/1047044367.db2.gz FKLXGGPPZPZAKO-UHFFFAOYSA-N 0 1 318.214 4.030 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001139684567 1047082676 /nfs/dbraw/zinc/08/26/76/1047082676.db2.gz ZLPNZUURFIBFJN-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684503 1047083086 /nfs/dbraw/zinc/08/30/86/1047083086.db2.gz XJOZWVAXZAEEJI-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN C[N@@H+](CCC1CC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374976 1047107762 /nfs/dbraw/zinc/10/77/62/1047107762.db2.gz UIRSNLAPVZCUFU-UHFFFAOYSA-N 0 1 318.642 4.040 20 10 DICDMN Cc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1C[NH+](C)C ZINC000839188828 1047202707 /nfs/dbraw/zinc/20/27/07/1047202707.db2.gz MMLRRWDYRHUVIG-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000389905845 1047292490 /nfs/dbraw/zinc/29/24/90/1047292490.db2.gz GPIAOQFLCBFWBK-AWEZNQCLSA-N 0 1 319.832 4.131 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2ncccc2F)c1O ZINC000528038030 1047300948 /nfs/dbraw/zinc/30/09/48/1047300948.db2.gz OLFOBDXQWWFZAQ-QWRGUYRKSA-N 0 1 308.784 4.300 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001142527109 1047309059 /nfs/dbraw/zinc/30/90/59/1047309059.db2.gz KTYMJMQLVVONPQ-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C(C)(C)Cc1ccccc1 ZINC001142527527 1047309284 /nfs/dbraw/zinc/30/92/84/1047309284.db2.gz XZICLZGARZMIIY-UHFFFAOYSA-N 0 1 305.368 4.124 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC000898068953 1047315858 /nfs/dbraw/zinc/31/58/58/1047315858.db2.gz SEURYPASIMUARE-CQSZACIVSA-N 0 1 324.449 4.067 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@H](Cc3nccs3)C2)ccc2ccccc21 ZINC000898068953 1047315871 /nfs/dbraw/zinc/31/58/71/1047315871.db2.gz SEURYPASIMUARE-CQSZACIVSA-N 0 1 324.449 4.067 20 10 DICDMN Cc1ncc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)o1 ZINC000840795483 1047333955 /nfs/dbraw/zinc/33/39/55/1047333955.db2.gz HCMJOXLEZTWMSP-HNNXBMFYSA-N 0 1 313.445 4.214 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000840808933 1047337249 /nfs/dbraw/zinc/33/72/49/1047337249.db2.gz YLFMWZKSEFXOTB-PGHLRGPGSA-N 0 1 313.363 4.493 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)c2cccnc2)c1[O-] ZINC000840892446 1047357557 /nfs/dbraw/zinc/35/75/57/1047357557.db2.gz SKYUBVGVKSYZBZ-ZDUSSCGKSA-N 0 1 318.848 4.377 20 10 DICDMN Cc1cc(N(C)C)ccc1CNC1(c2nccs2)CCCC1 ZINC000840933337 1047361650 /nfs/dbraw/zinc/36/16/50/1047361650.db2.gz CFZILNSWQUBTQY-UHFFFAOYSA-N 0 1 315.486 4.077 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC000840946086 1047363055 /nfs/dbraw/zinc/36/30/55/1047363055.db2.gz HUBRWHIFJDWBMX-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC000840946086 1047363065 /nfs/dbraw/zinc/36/30/65/1047363065.db2.gz HUBRWHIFJDWBMX-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cnccc2C(C)(C)C)c(Cl)c1 ZINC000840959283 1047363499 /nfs/dbraw/zinc/36/34/99/1047363499.db2.gz QKGBDMVTBAHCSL-UHFFFAOYSA-N 0 1 318.848 4.336 20 10 DICDMN CC(C)(C)c1ccncc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000840958994 1047366103 /nfs/dbraw/zinc/36/61/03/1047366103.db2.gz ODTYJFGXSNJGHJ-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CC2CC2)C2CCC2)c1[O-] ZINC000796579466 1047409016 /nfs/dbraw/zinc/40/90/16/1047409016.db2.gz MUXXQWJXHWHOQZ-UHFFFAOYSA-N 0 1 307.821 4.013 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841744465 1047447006 /nfs/dbraw/zinc/44/70/06/1047447006.db2.gz OJKWJNHBNYGLOH-ABAIWWIYSA-N 0 1 324.877 4.061 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Cl)cc1[O-] ZINC000841747994 1047448253 /nfs/dbraw/zinc/44/82/53/1047448253.db2.gz VHKVRHVEXOMMJN-BMIGLBTASA-N 0 1 303.789 4.089 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1c(C)nn(C)c1C ZINC000841748509 1047448478 /nfs/dbraw/zinc/44/84/78/1047448478.db2.gz ADNHHLTVTVVSJN-BONVTDFDSA-N 0 1 321.852 4.198 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1[O-] ZINC000841745493 1047449033 /nfs/dbraw/zinc/44/90/33/1047449033.db2.gz YYPKYHQUYSYTJI-WDEREUQCSA-N 0 1 319.788 4.186 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(Cl)cc1[O-] ZINC000841751523 1047450260 /nfs/dbraw/zinc/45/02/60/1047450260.db2.gz HQNBXLZQXIWDIO-LBPRGKRZSA-N 0 1 316.832 4.170 20 10 DICDMN COCC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000841753147 1047452025 /nfs/dbraw/zinc/45/20/25/1047452025.db2.gz JTCRCCMVRRFZBN-BXUZGUMPSA-N 0 1 309.793 4.067 20 10 DICDMN C[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccc(Cl)cc1O ZINC000841757794 1047453599 /nfs/dbraw/zinc/45/35/99/1047453599.db2.gz QEIFDUIUHRVSOK-IUCAKERBSA-N 0 1 312.747 4.131 20 10 DICDMN COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841761262 1047455747 /nfs/dbraw/zinc/45/57/47/1047455747.db2.gz XSVANTXREVREIM-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001142524548 1047464701 /nfs/dbraw/zinc/46/47/01/1047464701.db2.gz AXEFMNOPCLQGSQ-INIZCTEOSA-N 0 1 307.315 4.147 20 10 DICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142521094 1047465069 /nfs/dbraw/zinc/46/50/69/1047465069.db2.gz XMPVMVMIMHZPRM-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN CC(C)(C)c1cccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001143104565 1047531926 /nfs/dbraw/zinc/53/19/26/1047531926.db2.gz VITIUMWNHVSIGI-DOTOQJQBSA-N 0 1 315.457 4.023 20 10 DICDMN CC(C)(C)c1cccc(CN2CCOc3ccccc3C2)c1O ZINC001143110874 1047532296 /nfs/dbraw/zinc/53/22/96/1047532296.db2.gz SDNVPVIGCFEKBS-UHFFFAOYSA-N 0 1 311.425 4.084 20 10 DICDMN CC1(CC(F)F)C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000843425231 1047550048 /nfs/dbraw/zinc/55/00/48/1047550048.db2.gz YMYZSRKXHKECKC-UHFFFAOYSA-N 0 1 310.171 4.176 20 10 DICDMN CC1(CC(F)F)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843424557 1047550284 /nfs/dbraw/zinc/55/02/84/1047550284.db2.gz CMHGRBRXUFIOOY-UHFFFAOYSA-N 0 1 308.416 4.154 20 10 DICDMN Cc1ccc([C@@H](C)NCc2nc3c(s2)CCCC3)c(O)c1C ZINC000926918948 1047602672 /nfs/dbraw/zinc/60/26/72/1047602672.db2.gz KIXUWGILTYSMMJ-CYBMUJFWSA-N 0 1 316.470 4.195 20 10 DICDMN Cc1ccc([C@H](C)NCc2nc3c(s2)CCCC3)c(O)c1C ZINC000926918949 1047603952 /nfs/dbraw/zinc/60/39/52/1047603952.db2.gz KIXUWGILTYSMMJ-ZDUSSCGKSA-N 0 1 316.470 4.195 20 10 DICDMN CC[C@H]([NH2+]Cc1ncc(C)cc1C)c1cc(Cl)ccc1[O-] ZINC000926960529 1047642228 /nfs/dbraw/zinc/64/22/28/1047642228.db2.gz OXZXVGXJJRVECK-HNNXBMFYSA-N 0 1 304.821 4.298 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CC(Cc3ccccc3C)C2)c(Cl)c1 ZINC001182989855 1047873401 /nfs/dbraw/zinc/87/34/01/1047873401.db2.gz LYDZTIDSIBJTAL-UHFFFAOYSA-N 0 1 315.844 4.337 20 10 DICDMN Nc1ccc(Nc2ccc3cc4ccc(N)cc4nc3c2)cc1 ZINC001159700807 1047902943 /nfs/dbraw/zinc/90/29/43/1047902943.db2.gz TUABICXUQXSOBP-UHFFFAOYSA-N 0 1 300.365 4.296 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001183407008 1047924327 /nfs/dbraw/zinc/92/43/27/1047924327.db2.gz CPLDGJCIBIMOAL-SFHVURJKSA-N 0 1 321.342 4.131 20 10 DICDMN COCC1=CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000774647668 1047943044 /nfs/dbraw/zinc/94/30/44/1047943044.db2.gz USCRLSSXLVGGHT-UHFFFAOYSA-N 0 1 323.392 4.070 20 10 DICDMN COCC1=CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000774647668 1047943049 /nfs/dbraw/zinc/94/30/49/1047943049.db2.gz USCRLSSXLVGGHT-UHFFFAOYSA-N 0 1 323.392 4.070 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001203574021 1047953860 /nfs/dbraw/zinc/95/38/60/1047953860.db2.gz JWFNSUKGVPFHIB-QWRGUYRKSA-N 0 1 300.229 4.321 20 10 DICDMN [O-]c1c(C[NH2+]Cc2cccc3ncccc23)ccc2ccccc21 ZINC001183697197 1047957300 /nfs/dbraw/zinc/95/73/00/1047957300.db2.gz QHULWSBMFNXYIL-UHFFFAOYSA-N 0 1 314.388 4.383 20 10 DICDMN C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000776012412 1048086991 /nfs/dbraw/zinc/08/69/91/1048086991.db2.gz GPRJIEABSWTADS-GXSJLCMTSA-N 0 1 307.743 4.208 20 10 DICDMN CCCOc1ccc(CN[C@@H]2COc3ccc(C)cc32)cc1C ZINC001201035825 1048183427 /nfs/dbraw/zinc/18/34/27/1048183427.db2.gz KQQQEYFQFGCZGJ-GOSISDBHSA-N 0 1 311.425 4.316 20 10 DICDMN Cc1cnc(N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c(N)c1 ZINC001163487574 1048477451 /nfs/dbraw/zinc/47/74/51/1048477451.db2.gz POIMETSUHGKTFO-KRWDZBQOSA-N 0 1 311.429 4.030 20 10 DICDMN COc1cc(CNCc2ccc(Cl)o2)c(O)c(C(C)(C)C)c1 ZINC000850009022 1048610942 /nfs/dbraw/zinc/61/09/42/1048610942.db2.gz BAHNGAKYDVBPAL-UHFFFAOYSA-N 0 1 323.820 4.235 20 10 DICDMN C[C@@H](NCc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000850252362 1048628644 /nfs/dbraw/zinc/62/86/44/1048628644.db2.gz QSZAGYNVAVWPKH-LLVKDONJSA-N 0 1 308.347 4.021 20 10 DICDMN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc2ccccc2c1[O-] ZINC000850481330 1048668968 /nfs/dbraw/zinc/66/89/68/1048668968.db2.gz GKIGGLZMKUENJM-LSDHHAIUSA-N 0 1 306.409 4.395 20 10 DICDMN CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850536620 1048685466 /nfs/dbraw/zinc/68/54/66/1048685466.db2.gz MBIROYQUQDXMNC-AAEUAGOBSA-N 0 1 323.305 4.497 20 10 DICDMN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543541 1048686467 /nfs/dbraw/zinc/68/64/67/1048686467.db2.gz LTNLZIWUMVUJAZ-QFYYESIMSA-N 0 1 303.789 4.089 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543080 1048686783 /nfs/dbraw/zinc/68/67/83/1048686783.db2.gz XZPJESPLFRHQTD-IRXDYDNUSA-N 0 1 317.816 4.479 20 10 DICDMN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(Cl)cc1[O-] ZINC000850542173 1048687278 /nfs/dbraw/zinc/68/72/78/1048687278.db2.gz ISULCAOYSQJKBY-QFYYESIMSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@H]([NH2+]CCCc1ccco1)c1ccc(Br)cc1[O-] ZINC000850569316 1048695760 /nfs/dbraw/zinc/69/57/60/1048695760.db2.gz ADIOOFOUUDDKKG-NSHDSACASA-N 0 1 324.218 4.031 20 10 DICDMN CC(C)=CCC[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC001202483831 1048798292 /nfs/dbraw/zinc/79/82/92/1048798292.db2.gz TZGNJCROAFKMPF-GFCCVEGCSA-N 0 1 312.251 4.379 20 10 DICDMN C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000110246775 1048807689 /nfs/dbraw/zinc/80/76/89/1048807689.db2.gz IRBSGMNCJCLANY-GFCCVEGCSA-N 0 1 320.230 4.048 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCOCc2ccccc2)c(Cl)c1 ZINC001177143431 1048838829 /nfs/dbraw/zinc/83/88/29/1048838829.db2.gz UTAXTKFBLFABKC-UHFFFAOYSA-N 0 1 319.832 4.051 20 10 DICDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CCCCC1 ZINC001203254605 1048853046 /nfs/dbraw/zinc/85/30/46/1048853046.db2.gz HXJGOXDAVKLRFH-KRWDZBQOSA-N 0 1 311.853 4.039 20 10 DICDMN Cc1cc(C)c(CNCc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC001177528786 1048909817 /nfs/dbraw/zinc/90/98/17/1048909817.db2.gz HMOGBWKAUKTLCJ-UHFFFAOYSA-N 0 1 318.411 4.246 20 10 DICDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001203586845 1048936778 /nfs/dbraw/zinc/93/67/78/1048936778.db2.gz UCHAUCAFGHOEGE-UHFFFAOYSA-N 0 1 311.212 4.034 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001203582058 1048937767 /nfs/dbraw/zinc/93/77/67/1048937767.db2.gz ORFZSNIGKSDXBK-UHFFFAOYSA-N 0 1 312.196 4.457 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001203657814 1048952134 /nfs/dbraw/zinc/95/21/34/1048952134.db2.gz NSKVYMRLMDFDCF-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001203657814 1048952147 /nfs/dbraw/zinc/95/21/47/1048952147.db2.gz NSKVYMRLMDFDCF-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001203664218 1048953465 /nfs/dbraw/zinc/95/34/65/1048953465.db2.gz RFQGFAFUMNIISM-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001203664218 1048953473 /nfs/dbraw/zinc/95/34/73/1048953473.db2.gz RFQGFAFUMNIISM-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN COc1cccc(CCC[N@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC001203663707 1048954953 /nfs/dbraw/zinc/95/49/53/1048954953.db2.gz DUDRWOALMLSSKM-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1cccc(CCC[N@@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC001203663707 1048954966 /nfs/dbraw/zinc/95/49/66/1048954966.db2.gz DUDRWOALMLSSKM-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@@H]2c2cc(F)ccc2F)c1 ZINC001203678248 1048959274 /nfs/dbraw/zinc/95/92/74/1048959274.db2.gz IIKASPMGDNXSPW-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1cc(Cl)ccc1[O-] ZINC000775482795 1049002199 /nfs/dbraw/zinc/00/21/99/1049002199.db2.gz BFGDLCXUDWIDQC-INIZCTEOSA-N 0 1 305.805 4.295 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000775488925 1049011003 /nfs/dbraw/zinc/01/10/03/1049011003.db2.gz XHCGTUAFDYMNCX-HNNXBMFYSA-N 0 1 323.795 4.434 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000775491028 1049013263 /nfs/dbraw/zinc/01/32/63/1049013263.db2.gz XYOUWOCMFCCPHP-PXAZEXFGSA-N 0 1 319.832 4.340 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000775491030 1049013808 /nfs/dbraw/zinc/01/38/08/1049013808.db2.gz XYOUWOCMFCCPHP-SJCJKPOMSA-N 0 1 319.832 4.340 20 10 DICDMN CC[C@H]([NH2+]Cc1ccoc1C)c1cc(Br)ccc1[O-] ZINC000775496729 1049032363 /nfs/dbraw/zinc/03/23/63/1049032363.db2.gz JWNBYQDUACOSON-AWEZNQCLSA-N 0 1 324.218 4.297 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC001203937341 1049034782 /nfs/dbraw/zinc/03/47/82/1049034782.db2.gz VQZDZHGIWAXSOG-LJQANCHMSA-N 0 1 316.395 4.368 20 10 DICDMN CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1cc(Cl)ccc1[O-] ZINC000775498846 1049037302 /nfs/dbraw/zinc/03/73/02/1049037302.db2.gz OKCZNXUTDAOYJL-MRXNPFEDSA-N 0 1 321.852 4.120 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1cc(Cl)ccc1[O-] ZINC000775500869 1049040948 /nfs/dbraw/zinc/04/09/48/1049040948.db2.gz MBXQUOZPUWYVFX-AWEZNQCLSA-N 0 1 321.804 4.001 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccccc1O)c1cc(Cl)ccc1[O-] ZINC000775500507 1049042872 /nfs/dbraw/zinc/04/28/72/1049042872.db2.gz KSFOGPYRWSVVNK-OAHLLOKOSA-N 0 1 305.805 4.035 20 10 DICDMN CC[C@H](NCc1nccn1CC(C)C)c1cc(Cl)ccc1O ZINC000775510138 1049044072 /nfs/dbraw/zinc/04/40/72/1049044072.db2.gz VOUMNDPKMYLOAN-HNNXBMFYSA-N 0 1 321.852 4.139 20 10 DICDMN CC[C@H]([NH2+]Cc1nccn1CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775510138 1049044085 /nfs/dbraw/zinc/04/40/85/1049044085.db2.gz VOUMNDPKMYLOAN-HNNXBMFYSA-N 0 1 321.852 4.139 20 10 DICDMN CC[C@H]([NH2+]CC1(CC)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775513609 1049049011 /nfs/dbraw/zinc/04/90/11/1049049011.db2.gz QLMVCXUEPSAYDX-HNNXBMFYSA-N 0 1 311.853 4.293 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775513593 1049049230 /nfs/dbraw/zinc/04/92/30/1049049230.db2.gz PZHLESWVJKRWQF-CZUORRHYSA-N 0 1 313.869 4.131 20 10 DICDMN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775513449 1049050103 /nfs/dbraw/zinc/05/01/03/1049050103.db2.gz JKVCRTCNOGJLII-WPGHFRTFSA-N 0 1 323.820 4.192 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775513591 1049050331 /nfs/dbraw/zinc/05/03/31/1049050331.db2.gz PZHLESWVJKRWQF-BBRMVZONSA-N 0 1 313.869 4.131 20 10 DICDMN CC[C@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775509401 1049052315 /nfs/dbraw/zinc/05/23/15/1049052315.db2.gz LREXEUVQOQVAPX-HWPZZCPQSA-N 0 1 322.836 4.322 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521804 1049080266 /nfs/dbraw/zinc/08/02/66/1049080266.db2.gz BCGNBGSHQCYHNW-HIFRSBDPSA-N 0 1 309.837 4.188 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000775527037 1049092894 /nfs/dbraw/zinc/09/28/94/1049092894.db2.gz VTLHXHMYZWVUQS-UOJCXKCYSA-N 0 1 321.848 4.044 20 10 DICDMN Fc1cc(C2CC2)ccc1CNCc1ccc2c(c1)CCCO2 ZINC001178851111 1049101113 /nfs/dbraw/zinc/10/11/13/1049101113.db2.gz GLYNBUVKJCJFGL-UHFFFAOYSA-N 0 1 311.400 4.318 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@H]1C[C@]1(F)c1ccccc1 ZINC001178998379 1049120520 /nfs/dbraw/zinc/12/05/20/1049120520.db2.gz LPXCBEJDFKLPJR-PMACEKPBSA-N 0 1 308.400 4.214 20 10 DICDMN CCN(C)c1ccc(CN[C@@H](C)c2cccc(F)c2F)cc1 ZINC000773809952 1049151258 /nfs/dbraw/zinc/15/12/58/1049151258.db2.gz FGVBUMGKIIQMBS-ZDUSSCGKSA-N 0 1 304.384 4.272 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775555944 1049153815 /nfs/dbraw/zinc/15/38/15/1049153815.db2.gz SZENBVMYAZYDOH-QRTARXTBSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000857507133 1049165026 /nfs/dbraw/zinc/16/50/26/1049165026.db2.gz BJVQTEGRBXMQRF-MGCOHNPYSA-N 0 1 316.228 4.142 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565473 1049190313 /nfs/dbraw/zinc/19/03/13/1049190313.db2.gz NPIWMPAJRBTELH-KRWDZBQOSA-N 0 1 317.816 4.397 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565473 1049190315 /nfs/dbraw/zinc/19/03/15/1049190315.db2.gz NPIWMPAJRBTELH-KRWDZBQOSA-N 0 1 317.816 4.397 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565473 1049190318 /nfs/dbraw/zinc/19/03/18/1049190318.db2.gz NPIWMPAJRBTELH-KRWDZBQOSA-N 0 1 317.816 4.397 20 10 DICDMN CN(C)c1cc(F)c(CN2CCC(C3CCCC3)CC2)cc1F ZINC001179849280 1049216256 /nfs/dbraw/zinc/21/62/56/1049216256.db2.gz BNMNOTYUYITSHQ-UHFFFAOYSA-N 0 1 322.443 4.433 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC001204750281 1049252434 /nfs/dbraw/zinc/25/24/34/1049252434.db2.gz ZAKPDVFKWRPZHK-QGZVFWFLSA-N 0 1 317.379 4.268 20 10 DICDMN COc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C)c1O ZINC001180094192 1049265955 /nfs/dbraw/zinc/26/59/55/1049265955.db2.gz ZONBZTRAMAJODR-GFCCVEGCSA-N 0 1 317.816 4.001 20 10 DICDMN CC[C@H](NCc1cc(C)n(-c2ccccc2)c1C)c1nccn1C ZINC000858542214 1049272252 /nfs/dbraw/zinc/27/22/52/1049272252.db2.gz JKCKXTTYLOWUIG-IBGZPJMESA-N 0 1 322.456 4.069 20 10 DICDMN Cc1cc(CN[C@H](C)c2cnccn2)c(C)n1-c1cccc(C)c1 ZINC000858541055 1049272564 /nfs/dbraw/zinc/27/25/64/1049272564.db2.gz GBIAFMTVOBYAEI-MRXNPFEDSA-N 0 1 320.440 4.043 20 10 DICDMN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001180153878 1049299408 /nfs/dbraw/zinc/29/94/08/1049299408.db2.gz MVLKJKASKQFPRR-UHFFFAOYSA-N 0 1 309.331 4.220 20 10 DICDMN Cc1ccc(CN(Cc2ccco2)Cc2ccc(O)cc2)c(O)c1 ZINC001180209293 1049310594 /nfs/dbraw/zinc/31/05/94/1049310594.db2.gz ZWDKKJNCDFEPHL-UHFFFAOYSA-N 0 1 323.392 4.202 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCCOc2ccccc2)c(Cl)c1 ZINC001180272063 1049325866 /nfs/dbraw/zinc/32/58/66/1049325866.db2.gz YKWQVWQTFHGNGF-UHFFFAOYSA-N 0 1 319.832 4.255 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCCOc2ccccc2)c(Cl)c1 ZINC001180272063 1049325880 /nfs/dbraw/zinc/32/58/80/1049325880.db2.gz YKWQVWQTFHGNGF-UHFFFAOYSA-N 0 1 319.832 4.255 20 10 DICDMN CN(C)c1ccc(/C=C/CN(C)Cc2ccc(F)c(F)c2)cc1 ZINC001180394073 1049352792 /nfs/dbraw/zinc/35/27/92/1049352792.db2.gz RQGYSUDSMLIRMC-SNAWJCMRSA-N 0 1 316.395 4.176 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1Cl ZINC001180505258 1049376968 /nfs/dbraw/zinc/37/69/68/1049376968.db2.gz LVHZLOMBQMFRJJ-MRXNPFEDSA-N 0 1 304.821 4.030 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1Cl ZINC001180505258 1049376981 /nfs/dbraw/zinc/37/69/81/1049376981.db2.gz LVHZLOMBQMFRJJ-MRXNPFEDSA-N 0 1 304.821 4.030 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc(F)c1F ZINC001205171242 1049402170 /nfs/dbraw/zinc/40/21/70/1049402170.db2.gz YVIPOUZDROZEPT-OAHLLOKOSA-N 0 1 307.315 4.147 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC001205178218 1049403717 /nfs/dbraw/zinc/40/37/17/1049403717.db2.gz SEZCCUNOQKRUFJ-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCc2cccc3[nH]ccc32)cc1Cl ZINC001181196555 1049452303 /nfs/dbraw/zinc/45/23/03/1049452303.db2.gz QZSUXXNGNAZCCX-UHFFFAOYSA-N 0 1 314.816 4.168 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(Cl)c1 ZINC001181350519 1049465856 /nfs/dbraw/zinc/46/58/56/1049465856.db2.gz SKXQOQGVZNWPSZ-GXSJLCMTSA-N 0 1 307.743 4.127 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(Cl)c1 ZINC001181350519 1049465864 /nfs/dbraw/zinc/46/58/64/1049465864.db2.gz SKXQOQGVZNWPSZ-GXSJLCMTSA-N 0 1 307.743 4.127 20 10 DICDMN CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cc(F)cc(F)c1[O-] ZINC001205423510 1049467348 /nfs/dbraw/zinc/46/73/48/1049467348.db2.gz SFUAFBZLDZGWSS-UHFFFAOYSA-N 0 1 316.351 4.174 20 10 DICDMN CCCC1CCC([N@H+](C)Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001181410979 1049470568 /nfs/dbraw/zinc/47/05/68/1049470568.db2.gz VSDOEXDBGBKONB-UHFFFAOYSA-N 0 1 305.462 4.500 20 10 DICDMN CCCC1CCC([N@@H+](C)Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001181410979 1049470575 /nfs/dbraw/zinc/47/05/75/1049470575.db2.gz VSDOEXDBGBKONB-UHFFFAOYSA-N 0 1 305.462 4.500 20 10 DICDMN Cc1ccc(F)c(CN(C)Cc2cc(Cl)c(C)cc2O)c1 ZINC001205554730 1049496496 /nfs/dbraw/zinc/49/64/96/1049496496.db2.gz KLQKCVQAGKFEAP-UHFFFAOYSA-N 0 1 307.796 4.434 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000775644779 1049498083 /nfs/dbraw/zinc/49/80/83/1049498083.db2.gz UVTXBNNRTLNEMC-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775647884 1049499381 /nfs/dbraw/zinc/49/93/81/1049499381.db2.gz GLKFUYWTJVTKNG-LLVKDONJSA-N 0 1 323.795 4.386 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1[O-] ZINC001195307269 1049516605 /nfs/dbraw/zinc/51/66/05/1049516605.db2.gz QVNJPDMEGJHYIN-AWEZNQCLSA-N 0 1 321.848 4.260 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C3CCCC3)C2)c1[O-] ZINC001195307269 1049516611 /nfs/dbraw/zinc/51/66/11/1049516611.db2.gz QVNJPDMEGJHYIN-AWEZNQCLSA-N 0 1 321.848 4.260 20 10 DICDMN CCCC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCCC[C@H]1OC ZINC001181776595 1049517576 /nfs/dbraw/zinc/51/75/76/1049517576.db2.gz QIVIKRICGFTTAG-IAGOWNOFSA-N 0 1 309.425 4.091 20 10 DICDMN COc1ccc(CCC[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000775657759 1049535580 /nfs/dbraw/zinc/53/55/80/1049535580.db2.gz HLDSXFYMIOBDCH-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182053726 1049566890 /nfs/dbraw/zinc/56/68/90/1049566890.db2.gz PUPVHGLSPSGPBK-WWGRRREGSA-N 0 1 317.379 4.437 20 10 DICDMN C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001182272905 1049598663 /nfs/dbraw/zinc/59/86/63/1049598663.db2.gz XWJGEKADCJECLK-GFCCVEGCSA-N 0 1 307.796 4.248 20 10 DICDMN C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001182272905 1049598682 /nfs/dbraw/zinc/59/86/82/1049598682.db2.gz XWJGEKADCJECLK-GFCCVEGCSA-N 0 1 307.796 4.248 20 10 DICDMN C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001182272905 1049598704 /nfs/dbraw/zinc/59/87/04/1049598704.db2.gz XWJGEKADCJECLK-GFCCVEGCSA-N 0 1 307.796 4.248 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000775686618 1049619743 /nfs/dbraw/zinc/61/97/43/1049619743.db2.gz LBBLWMAIQLUTBT-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN Oc1c(CNc2ccc(CC(F)(F)F)cc2)ccc(F)c1F ZINC000864024488 1049627344 /nfs/dbraw/zinc/62/73/44/1049627344.db2.gz YNHCXDVWANNEDA-UHFFFAOYSA-N 0 1 317.257 4.387 20 10 DICDMN Oc1c(CNc2ccccc2N2CCCCC2)ccc(F)c1F ZINC000864022743 1049628015 /nfs/dbraw/zinc/62/80/15/1049628015.db2.gz LOHHAEQWKRRXAC-UHFFFAOYSA-N 0 1 318.367 4.273 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCc2sccc2C1 ZINC000775690354 1049628662 /nfs/dbraw/zinc/62/86/62/1049628662.db2.gz RVYVVNXIUZKVIM-UHFFFAOYSA-N 0 1 311.809 4.195 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000775696410 1049630699 /nfs/dbraw/zinc/63/06/99/1049630699.db2.gz KMYGGBJBMNVJMD-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN Oc1c(CNc2ccc(F)cc2OC(F)F)ccc(F)c1F ZINC000864031376 1049631756 /nfs/dbraw/zinc/63/17/56/1049631756.db2.gz WYNDEOWJAAGNMK-UHFFFAOYSA-N 0 1 319.229 4.023 20 10 DICDMN Cc1coc(-c2cccc(NCc3ccc(F)c(F)c3O)c2)n1 ZINC000864030997 1049632006 /nfs/dbraw/zinc/63/20/06/1049632006.db2.gz SEBRSQPHWXRWRU-UHFFFAOYSA-N 0 1 316.307 4.246 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000775691475 1049632436 /nfs/dbraw/zinc/63/24/36/1049632436.db2.gz YCWYPZYJLKUJIX-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN CCN(CC)c1ccc(CNc2ccc3c[nH]nc3c2)cc1F ZINC000864043848 1049635617 /nfs/dbraw/zinc/63/56/17/1049635617.db2.gz YMLOUNXPRQJFCJ-UHFFFAOYSA-N 0 1 312.392 4.160 20 10 DICDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775712579 1049650316 /nfs/dbraw/zinc/65/03/16/1049650316.db2.gz DCILCQGQSKFMDE-ZDUSSCGKSA-N 0 1 317.816 4.044 20 10 DICDMN CCO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000774494896 1049677369 /nfs/dbraw/zinc/67/73/69/1049677369.db2.gz GSBJWOALCUHOJF-FZKQIMNGSA-N 0 1 319.832 4.474 20 10 DICDMN CCO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000774494898 1049677779 /nfs/dbraw/zinc/67/77/79/1049677779.db2.gz GSBJWOALCUHOJF-SCLBCKFNSA-N 0 1 319.832 4.474 20 10 DICDMN [O-]c1c(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)ccc2ccccc21 ZINC001207699953 1049928406 /nfs/dbraw/zinc/92/84/06/1049928406.db2.gz JRTJJZGYOXJEPU-KRWDZBQOSA-N 0 1 311.425 4.127 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC001207806265 1049941792 /nfs/dbraw/zinc/94/17/92/1049941792.db2.gz SAJGURDHBHHKQE-JKSUJKDBSA-N 0 1 315.844 4.322 20 10 DICDMN Cc1ccc(C)n1-c1ccc(CN(C)Cc2ccncc2)cc1 ZINC001209516490 1050065436 /nfs/dbraw/zinc/06/54/36/1050065436.db2.gz IMQLNWLLSGMCOG-UHFFFAOYSA-N 0 1 305.425 4.121 20 10 DICDMN CCN(Cc1ccccc1O)Cc1ccc(Cl)c(OC)c1F ZINC001209703248 1050077681 /nfs/dbraw/zinc/07/76/81/1050077681.db2.gz QAUJHZUVIYERRP-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000282652425 1050172819 /nfs/dbraw/zinc/17/28/19/1050172819.db2.gz ICQLYUUNTWNFCB-LRDDRELGSA-N 0 1 309.837 4.046 20 10 DICDMN C[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)Cc1ccccc1O ZINC001136863496 1050201558 /nfs/dbraw/zinc/20/15/58/1050201558.db2.gz DUAWKEUSXJCFDB-UHFFFAOYSA-N 0 1 300.789 4.159 20 10 DICDMN CC(C)c1cc(CNCc2cc(-c3ccccc3)ccc2O)on1 ZINC000734005948 1050212248 /nfs/dbraw/zinc/21/22/48/1050212248.db2.gz DWGDQKJMIQKLOR-UHFFFAOYSA-N 0 1 322.408 4.460 20 10 DICDMN CCOc1cccc(CN2CC(c3cccc(Cl)c3)C2)c1O ZINC000824987775 1050265296 /nfs/dbraw/zinc/26/52/96/1050265296.db2.gz ABNNULFQILPLCP-UHFFFAOYSA-N 0 1 317.816 4.044 20 10 DICDMN Cc1cc(N(C)C)ccc1CNc1ccnc2cc(F)ccc21 ZINC000734482689 1050274396 /nfs/dbraw/zinc/27/43/96/1050274396.db2.gz SOEWCBZZAVCVHD-UHFFFAOYSA-N 0 1 309.388 4.360 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825087196 1050276993 /nfs/dbraw/zinc/27/69/93/1050276993.db2.gz YDCAWJJMQLUJNM-UKRRQHHQSA-N 0 1 323.845 4.117 20 10 DICDMN COc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825127507 1050280032 /nfs/dbraw/zinc/28/00/32/1050280032.db2.gz XYNNTBFRXNACFP-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825168466 1050281284 /nfs/dbraw/zinc/28/12/84/1050281284.db2.gz YGWWSUIHRCOJCQ-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CSCc3ccccc32)cc1Cl ZINC000825151411 1050281326 /nfs/dbraw/zinc/28/13/26/1050281326.db2.gz XQOHTKXANDIAAQ-INIZCTEOSA-N 0 1 319.857 4.432 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1Cl ZINC000825247816 1050287571 /nfs/dbraw/zinc/28/75/71/1050287571.db2.gz XMGFPCDDGGDXAP-UHFFFAOYSA-N 0 1 305.780 4.272 20 10 DICDMN COc1cccc(F)c1[C@@H](C)NCc1cc(Cl)c(C)cc1O ZINC000825282947 1050289732 /nfs/dbraw/zinc/28/97/32/1050289732.db2.gz CDRLOZAYQFVHBR-LLVKDONJSA-N 0 1 323.795 4.353 20 10 DICDMN Cc1cnc(C(C)(C)NCc2cc(Cl)c(C)cc2O)s1 ZINC000825330801 1050296892 /nfs/dbraw/zinc/29/68/92/1050296892.db2.gz DANDPJIYRAAKGN-UHFFFAOYSA-N 0 1 310.850 4.144 20 10 DICDMN CCN(CC)c1ccc(CNCc2cc(C)ccc2F)cc1F ZINC000735084064 1050343941 /nfs/dbraw/zinc/34/39/41/1050343941.db2.gz CINYEQFZGXRCNK-UHFFFAOYSA-N 0 1 318.411 4.409 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1cc(Cl)ccc1[O-] ZINC000783328388 1050484860 /nfs/dbraw/zinc/48/48/60/1050484860.db2.gz AHWTWXBYEXWXDC-ABAIWWIYSA-N 0 1 320.820 4.251 20 10 DICDMN CCS[C@@H]1CCCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738217893 1050525301 /nfs/dbraw/zinc/52/53/01/1050525301.db2.gz CHNGFTSGJJAFGU-OAHLLOKOSA-N 0 1 316.470 4.048 20 10 DICDMN CCS[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738217893 1050525317 /nfs/dbraw/zinc/52/53/17/1050525317.db2.gz CHNGFTSGJJAFGU-OAHLLOKOSA-N 0 1 316.470 4.048 20 10 DICDMN CC[C@H](c1ccncc1)[N@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000739888395 1050589941 /nfs/dbraw/zinc/58/99/41/1050589941.db2.gz TXWRLYDAEBNKHM-LJQANCHMSA-N 0 1 321.424 4.309 20 10 DICDMN CC[C@H](c1ccncc1)[N@@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000739888395 1050589955 /nfs/dbraw/zinc/58/99/55/1050589955.db2.gz TXWRLYDAEBNKHM-LJQANCHMSA-N 0 1 321.424 4.309 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)c1[O-] ZINC001171190441 1050596011 /nfs/dbraw/zinc/59/60/11/1050596011.db2.gz SICVIBUEAIVRLC-OBJOEFQTSA-N 0 1 307.409 4.038 20 10 DICDMN COc1ccccc1[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000129849123 1050618631 /nfs/dbraw/zinc/61/86/31/1050618631.db2.gz VNHRKBOVVYNUIM-ZDUSSCGKSA-N 0 1 317.816 4.044 20 10 DICDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000129849123 1050618637 /nfs/dbraw/zinc/61/86/37/1050618637.db2.gz VNHRKBOVVYNUIM-ZDUSSCGKSA-N 0 1 317.816 4.044 20 10 DICDMN CCc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000227442115 1050673283 /nfs/dbraw/zinc/67/32/83/1050673283.db2.gz UDNWAVDCGGSSMZ-UHFFFAOYSA-N 0 1 320.230 4.007 20 10 DICDMN Cc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000227438355 1050674098 /nfs/dbraw/zinc/67/40/98/1050674098.db2.gz XOXKAOPBDKLUDS-LBPRGKRZSA-N 0 1 320.230 4.314 20 10 DICDMN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cc(Cl)ccc1[O-] ZINC000846185838 1050689271 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CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172345335 1051364549 /nfs/dbraw/zinc/36/45/49/1051364549.db2.gz WOPMNRIPTJPSGN-HUUCEWRRSA-N 0 1 301.430 4.229 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000749300136 1051407934 /nfs/dbraw/zinc/40/79/34/1051407934.db2.gz WVIKTIJYAIJASE-KRWDZBQOSA-N 0 1 319.857 4.166 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000766378011 1051411639 /nfs/dbraw/zinc/41/16/39/1051411639.db2.gz NZWLMJCKTWDYRA-OAHLLOKOSA-N 0 1 322.456 4.178 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000766378011 1051411646 /nfs/dbraw/zinc/41/16/46/1051411646.db2.gz NZWLMJCKTWDYRA-OAHLLOKOSA-N 0 1 322.456 4.178 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cc(C)ccc2C)c1[O-] ZINC001168924556 1051468123 /nfs/dbraw/zinc/46/81/23/1051468123.db2.gz DWUXZQIMKYVYCG-ZDUSSCGKSA-N 0 1 315.388 4.202 20 10 DICDMN C[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)ccc1[O-] ZINC000806173955 1051746691 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DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC001461904243 1063787838 /nfs/dbraw/zinc/78/78/38/1063787838.db2.gz SYRDTTXLCVLCJN-JSGCOSHPSA-N 0 1 315.841 4.045 20 10 DICDMN Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001461913667 1063793809 /nfs/dbraw/zinc/79/38/09/1063793809.db2.gz KGSDPKLLWQPMFQ-INIZCTEOSA-N 0 1 317.379 4.186 20 10 DICDMN C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001461916221 1063798042 /nfs/dbraw/zinc/79/80/42/1063798042.db2.gz CIVTWNULWZBUGU-HXUWFJFHSA-N 0 1 313.416 4.376 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC001461972904 1063850174 /nfs/dbraw/zinc/85/01/74/1063850174.db2.gz XZHDJVYTYQLPBH-GOSISDBHSA-N 0 1 317.816 4.009 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC001461972904 1063850186 /nfs/dbraw/zinc/85/01/86/1063850186.db2.gz XZHDJVYTYQLPBH-GOSISDBHSA-N 0 1 317.816 4.009 20 10 DICDMN COc1cccc2cc(C[NH2+]Cc3c([O-])cccc3Cl)oc21 ZINC001261256421 1063915965 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324.443 4.404 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3[nH]ccc32)c(Cl)c1 ZINC001308498665 1066029326 /nfs/dbraw/zinc/02/93/26/1066029326.db2.gz BPCZFDILZMMNDG-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cnc2[nH]ccc2c1 ZINC001308520910 1066041851 /nfs/dbraw/zinc/04/18/51/1066041851.db2.gz VXOPRZQESYVYLO-UHFFFAOYSA-N 0 1 308.168 4.139 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC001308558190 1066067096 /nfs/dbraw/zinc/06/70/96/1066067096.db2.gz JQZSRSLQDNPBDT-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN Cc1cc(O)c(CN2CCOC3(C2)CCCCCC3)cc1Cl ZINC001308597826 1066108491 /nfs/dbraw/zinc/10/84/91/1066108491.db2.gz GRTIONFWDMBWFV-UHFFFAOYSA-N 0 1 323.864 4.279 20 10 DICDMN CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC001308601229 1066110682 /nfs/dbraw/zinc/11/06/82/1066110682.db2.gz RGQWGGQTOJYFGA-CQSZACIVSA-N 0 1 312.251 4.165 20 10 DICDMN CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC001308601229 1066110685 /nfs/dbraw/zinc/11/06/85/1066110685.db2.gz 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1066187618 /nfs/dbraw/zinc/18/76/18/1066187618.db2.gz VEUQABAZOUBWMW-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC001308717160 1066195180 /nfs/dbraw/zinc/19/51/80/1066195180.db2.gz CDANKBSILXMGLN-KRWDZBQOSA-N 0 1 305.780 4.116 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC001308717160 1066195185 /nfs/dbraw/zinc/19/51/85/1066195185.db2.gz CDANKBSILXMGLN-KRWDZBQOSA-N 0 1 305.780 4.116 20 10 DICDMN Oc1cc(Cl)ccc1CN1CC[C@@](F)(c2ccccc2)C1 ZINC001308717160 1066195189 /nfs/dbraw/zinc/19/51/89/1066195189.db2.gz CDANKBSILXMGLN-KRWDZBQOSA-N 0 1 305.780 4.116 20 10 DICDMN COc1cc(CN2CCC[C@@](C)(F)C2)c(O)c(C(C)(C)C)c1 ZINC001308781525 1066254151 /nfs/dbraw/zinc/25/41/51/1066254151.db2.gz HDVPWRCWNVJETD-GOSISDBHSA-N 0 1 309.425 4.022 20 10 DICDMN Cc1ccccc1CC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001308786748 1066262802 /nfs/dbraw/zinc/26/28/02/1066262802.db2.gz NNIVPFMIFIASII-UHFFFAOYSA-N 0 1 303.833 4.337 20 10 DICDMN Cc1ccccc1CC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001308786748 1066262810 /nfs/dbraw/zinc/26/28/10/1066262810.db2.gz NNIVPFMIFIASII-UHFFFAOYSA-N 0 1 303.833 4.337 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)C2CCC(F)(F)CC2)c(Cl)c1 ZINC001308794130 1066270522 /nfs/dbraw/zinc/27/05/22/1066270522.db2.gz IQAWVUAIXJLANS-UHFFFAOYSA-N 0 1 303.780 4.364 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)C2CCC(F)(F)CC2)c(Cl)c1 ZINC001308794130 1066270536 /nfs/dbraw/zinc/27/05/36/1066270536.db2.gz IQAWVUAIXJLANS-UHFFFAOYSA-N 0 1 303.780 4.364 20 10 DICDMN Oc1ccc(Cl)cc1CNCc1cncc(Cl)c1Cl ZINC001308846377 1066322469 /nfs/dbraw/zinc/32/24/69/1066322469.db2.gz QVULFWRUGHSTGX-UHFFFAOYSA-N 0 1 317.603 4.037 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cncc(Cl)c1Cl ZINC001308846377 1066322489 /nfs/dbraw/zinc/32/24/89/1066322489.db2.gz QVULFWRUGHSTGX-UHFFFAOYSA-N 0 1 317.603 4.037 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001308846578 1066323583 /nfs/dbraw/zinc/32/35/83/1066323583.db2.gz UBSXRMFNJFXQNQ-RHSMWYFYSA-N 0 1 323.864 4.121 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001308846579 1066323934 /nfs/dbraw/zinc/32/39/34/1066323934.db2.gz UBSXRMFNJFXQNQ-WMLDXEAASA-N 0 1 323.864 4.121 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000273359479 130111680 /nfs/dbraw/zinc/11/16/80/130111680.db2.gz DIDWLUJSDYEKSK-MNOVXSKESA-N 0 1 320.776 4.366 20 10 DICDMN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273430396 130121267 /nfs/dbraw/zinc/12/12/67/130121267.db2.gz VLHPDOJSFDSIII-RYUDHWBXSA-N 0 1 305.805 4.466 20 10 DICDMN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000273590477 130141353 /nfs/dbraw/zinc/14/13/53/130141353.db2.gz PAGVHYANKQXSBR-NEPJUHHUSA-N 0 1 305.805 4.466 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000274222785 130219507 /nfs/dbraw/zinc/21/95/07/130219507.db2.gz ZHQKYLYWQRPBSB-KDOFPFPSSA-N 0 1 317.816 4.056 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000274222782 130219827 /nfs/dbraw/zinc/21/98/27/130219827.db2.gz ZHQKYLYWQRPBSB-KBXCAEBGSA-N 0 1 317.816 4.056 20 10 DICDMN Cc1cc(C)c([C@H](C)NCc2nc(C3CC3)cs2)c(O)c1 ZINC000285398554 131164679 /nfs/dbraw/zinc/16/46/79/131164679.db2.gz XBVKHBWNZKUINM-LBPRGKRZSA-N 0 1 302.443 4.194 20 10 DICDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2nccn2-c2ccccc2)c1 ZINC000287197469 131268505 /nfs/dbraw/zinc/26/85/05/131268505.db2.gz WCYUZJJNPZURLV-HOTGVXAUSA-N 0 1 321.424 4.298 20 10 DICDMN CO[C@@H](C)c1nc(CN[C@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000294821901 131863113 /nfs/dbraw/zinc/86/31/13/131863113.db2.gz QMLXQFOOVVAMBZ-OLZOCXBDSA-N 0 1 320.458 4.024 20 10 DICDMN Cc1cc(C)c([C@@H](C)NCc2cc(F)cnc2Cl)c(O)c1 ZINC000297376916 132012879 /nfs/dbraw/zinc/01/28/79/132012879.db2.gz QUCWPJDFRBIUCI-LLVKDONJSA-N 0 1 308.784 4.047 20 10 DICDMN Cc1ccc(-c2nc(CN[C@H]3CCc4cccc(O)c43)co2)cc1 ZINC000297887927 132039130 /nfs/dbraw/zinc/03/91/30/132039130.db2.gz VLLGOLXXIXYNQF-KRWDZBQOSA-N 0 1 320.392 4.133 20 10 DICDMN C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1O ZINC000183546196 333058910 /nfs/dbraw/zinc/05/89/10/333058910.db2.gz OZMYUQNMJHWPLF-LNLFQRSKSA-N 0 1 324.468 4.096 20 10 DICDMN COCCC(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000183929854 333324873 /nfs/dbraw/zinc/32/48/73/333324873.db2.gz AMOMJBYYGQYTEZ-AWEZNQCLSA-N 0 1 301.430 4.259 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccs2)c1[O-] ZINC000182549431 518277545 /nfs/dbraw/zinc/27/75/45/518277545.db2.gz NRFZNUDPRKRUIW-SECBINFHSA-N 0 1 309.818 4.161 20 10 DICDMN CCc1cnc(CN[C@H](CC)c2ccc(N(C)C)cc2)s1 ZINC000130533239 522042361 /nfs/dbraw/zinc/04/23/61/522042361.db2.gz BTEOJLWNGWNRAF-MRXNPFEDSA-N 0 1 303.475 4.012 20 10 DICDMN Cc1cc(Cl)cc(CNC2(c3nccs3)CCCC2)c1O ZINC000182220327 524869537 /nfs/dbraw/zinc/86/95/37/524869537.db2.gz GWIBBENFRCILSM-UHFFFAOYSA-N 0 1 322.861 4.370 20 10 DICDMN Cc1ccc(O)c([C@H](C)N[C@@H](COCC(C)C)c2ccco2)c1 ZINC000185288889 525365244 /nfs/dbraw/zinc/36/52/44/525365244.db2.gz YFDCKDOEXJVZGE-RDJZCZTQSA-N 0 1 317.429 4.358 20 10 DICDMN C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000188052608 525687815 /nfs/dbraw/zinc/68/78/15/525687815.db2.gz MYKFDLUTNVIZFX-ACJLOTCBSA-N 0 1 314.404 4.066 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(Cl)ccc1[O-] ZINC000188043442 525689043 /nfs/dbraw/zinc/68/90/43/525689043.db2.gz IJVMATBBFZJJPF-BMIGLBTASA-N 0 1 321.779 4.359 20 10 DICDMN CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000287662836 535894082 /nfs/dbraw/zinc/89/40/82/535894082.db2.gz LTGKKGSJCGZSLF-INIZCTEOSA-N 0 1 324.896 4.349 20 10 DICDMN CO[C@H](C)c1nc(CN[C@@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273571661 536512153 /nfs/dbraw/zinc/51/21/53/536512153.db2.gz KVJKCTCRMWWQMJ-QWHCGFSZSA-N 0 1 320.458 4.024 20 10 DICDMN COCC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccc(C)o1 ZINC000273442526 536817841 /nfs/dbraw/zinc/81/78/41/536817841.db2.gz NBSUJYWBZDEFOD-DOMZBBRYSA-N 0 1 323.820 4.375 20 10 DICDMN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000273590486 536902493 /nfs/dbraw/zinc/90/24/93/536902493.db2.gz PAGVHYANKQXSBR-RYUDHWBXSA-N 0 1 305.805 4.466 20 10 DICDMN CCN(C)c1ccc(CN(CC)Cc2ccccc2F)cc1 ZINC001167244481 1036315472 /nfs/dbraw/zinc/31/54/72/1036315472.db2.gz RQOTUZBRBNQLRD-UHFFFAOYSA-N 0 1 300.421 4.304 20 10 DICDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCCc2ccccc21 ZINC000023611989 1036411583 /nfs/dbraw/zinc/41/15/83/1036411583.db2.gz OUJHCIRXJAKYKG-FQEVSTJZSA-N 0 1 318.420 4.450 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCCc2ccccc21 ZINC000023611989 1036411590 /nfs/dbraw/zinc/41/15/90/1036411590.db2.gz OUJHCIRXJAKYKG-FQEVSTJZSA-N 0 1 318.420 4.450 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000083551472 1036897111 /nfs/dbraw/zinc/89/71/11/1036897111.db2.gz HRYXYULZLVRXRR-CQSZACIVSA-N 0 1 305.830 4.372 20 10 DICDMN CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706842347 1037499031 /nfs/dbraw/zinc/49/90/31/1037499031.db2.gz ASLXXZDWHGRFJY-BXUZGUMPSA-N 0 1 312.251 4.213 20 10 DICDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000277247826 1038467679 /nfs/dbraw/zinc/46/76/79/1038467679.db2.gz NTJZHQPWPNHFAG-LEWSCRJBSA-N 0 1 316.449 4.052 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)C[C@@]1(C)CC1(Cl)Cl ZINC001167521657 1038546213 /nfs/dbraw/zinc/54/62/13/1038546213.db2.gz FSMHBQGUCAQNCC-CQSZACIVSA-N 0 1 302.245 4.188 20 10 DICDMN CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000230664515 1038621190 /nfs/dbraw/zinc/62/11/90/1038621190.db2.gz YJQCKZGCMRYBBN-NWANDNLSSA-N 0 1 301.455 4.480 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C(C)C ZINC000708134283 1038956869 /nfs/dbraw/zinc/95/68/69/1038956869.db2.gz QVHINZVKYVDXDS-UHFFFAOYSA-N 0 1 306.631 4.038 20 10 DICDMN CC[C@H]([NH2+][C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000088747604 1039598014 /nfs/dbraw/zinc/59/80/14/1039598014.db2.gz MPMVVCNMLIOWLH-JSGCOSHPSA-N 0 1 310.235 4.304 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc2ccccc2c1[O-] ZINC000168819489 1039615534 /nfs/dbraw/zinc/61/55/34/1039615534.db2.gz IVLXRRQSBUQJFY-GXTWGEPZSA-N 0 1 319.495 4.045 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1[O-] ZINC000808700285 1041007738 /nfs/dbraw/zinc/00/77/38/1041007738.db2.gz KAAROGOCTDCMMR-UONOGXRCSA-N 0 1 313.869 4.049 20 10 DICDMN COC[C@@H](N[C@H](C)c1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000808699918 1041009368 /nfs/dbraw/zinc/00/93/68/1041009368.db2.gz DTBRZXFYURXZQF-IUODEOHRSA-N 0 1 323.820 4.294 20 10 DICDMN CCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000808700788 1041012160 /nfs/dbraw/zinc/01/21/60/1041012160.db2.gz RCAATSLVHLTQHM-CYBMUJFWSA-N 0 1 311.853 4.211 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1c([O-])ccc(Cl)c1F ZINC000809734279 1041226549 /nfs/dbraw/zinc/22/65/49/1041226549.db2.gz CNBUYNZFJKNUMF-UHFFFAOYSA-N 0 1 322.811 4.034 20 10 DICDMN COc1cccc(CNCc2csc(Cl)c2Cl)c1O ZINC000809740079 1041240578 /nfs/dbraw/zinc/24/05/78/1041240578.db2.gz KWXYJSFUPRWANY-UHFFFAOYSA-N 0 1 318.225 4.059 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1cccnc1 ZINC000809763934 1041250828 /nfs/dbraw/zinc/25/08/28/1041250828.db2.gz BKCAMMSREPGRFY-NSHDSACASA-N 0 1 308.784 4.163 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000809764805 1041251748 /nfs/dbraw/zinc/25/17/48/1041251748.db2.gz ZTGOKYCIKCXEJM-UHFFFAOYSA-N 0 1 323.223 4.259 20 10 DICDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809765866 1041251804 /nfs/dbraw/zinc/25/18/04/1041251804.db2.gz REGCIDSBLMGDCO-AWEZNQCLSA-N 0 1 308.784 4.163 20 10 DICDMN Cc1cccc(CN2CCCn3c(cc4ccccc43)C2)c1O ZINC000809783282 1041255170 /nfs/dbraw/zinc/25/51/70/1041255170.db2.gz XDXPUBFKHYTYJT-UHFFFAOYSA-N 0 1 306.409 4.061 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229993 1041342915 /nfs/dbraw/zinc/34/29/15/1041342915.db2.gz PVZDPYQEOPLYHF-JSGCOSHPSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228549 1041343302 /nfs/dbraw/zinc/34/33/02/1041343302.db2.gz IFDCXOCDBANMPF-OSMZGAPFSA-N 0 1 317.351 4.019 20 10 DICDMN CC[C@@H](N[C@H](C)c1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000162360284 1041644097 /nfs/dbraw/zinc/64/40/97/1041644097.db2.gz SMSXEUOTKICTIG-CZUORRHYSA-N 0 1 303.475 4.319 20 10 DICDMN Cc1csc([C@H](C)N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000756533236 1041689257 /nfs/dbraw/zinc/68/92/57/1041689257.db2.gz DDKCHCKCZDIDGV-PTOFAABTSA-N 0 1 306.406 4.195 20 10 DICDMN C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000390350937 1041715135 /nfs/dbraw/zinc/71/51/35/1041715135.db2.gz YSTKAEWRXMYJMO-HOTGVXAUSA-N 0 1 312.457 4.070 20 10 DICDMN CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000813872617 1041740299 /nfs/dbraw/zinc/74/02/99/1041740299.db2.gz IEKPWTUALWZLQY-LBPRGKRZSA-N 0 1 323.305 4.497 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000813872998 1041740572 /nfs/dbraw/zinc/74/05/72/1041740572.db2.gz MVGUDXAXTXLQGO-RYUDHWBXSA-N 0 1 301.352 4.398 20 10 DICDMN CCc1nc(C)c(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])o1 ZINC000813886900 1041743480 /nfs/dbraw/zinc/74/34/80/1041743480.db2.gz PQMBICQWKWNYJB-ZDUSSCGKSA-N 0 1 308.809 4.145 20 10 DICDMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(F)cn2)cc1F ZINC000092747842 1041760889 /nfs/dbraw/zinc/76/08/89/1041760889.db2.gz AETUNBMKWBMBAD-CYBMUJFWSA-N 0 1 319.399 4.057 20 10 DICDMN CCCN(CCC)c1ccc(CNCc2cccc(F)n2)cc1 ZINC000747936330 1041813393 /nfs/dbraw/zinc/81/33/93/1041813393.db2.gz UKNMKLJQDMHCAK-UHFFFAOYSA-N 0 1 315.436 4.137 20 10 DICDMN [O-]c1ccccc1C[N@H+](CCC1CCOCC1)C1CCCCC1 ZINC000814624309 1041841996 /nfs/dbraw/zinc/84/19/96/1041841996.db2.gz RYEJRCMNJWMNJQ-UHFFFAOYSA-N 0 1 317.473 4.344 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CCC1CCOCC1)C1CCCCC1 ZINC000814624309 1041842006 /nfs/dbraw/zinc/84/20/06/1041842006.db2.gz RYEJRCMNJWMNJQ-UHFFFAOYSA-N 0 1 317.473 4.344 20 10 DICDMN Oc1ccccc1[C@@H](CCc1ccccc1)NCc1nccs1 ZINC000815562496 1041963159 /nfs/dbraw/zinc/96/31/59/1041963159.db2.gz GXDPHWYLPKOAKT-QGZVFWFLSA-N 0 1 324.449 4.312 20 10 DICDMN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1cc[nH]c(=O)c1 ZINC000815642988 1041983482 /nfs/dbraw/zinc/98/34/82/1041983482.db2.gz QJUIXCOOBXGCSS-CHWSQXEVSA-N 0 1 308.381 4.058 20 10 DICDMN CC(C)[N@H+](Cc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816493564 1042057528 /nfs/dbraw/zinc/05/75/28/1042057528.db2.gz GLOZJGWZWSNGOA-UHFFFAOYSA-N 0 1 306.409 4.351 20 10 DICDMN CC(C)[N@@H+](Cc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816493564 1042057534 /nfs/dbraw/zinc/05/75/34/1042057534.db2.gz GLOZJGWZWSNGOA-UHFFFAOYSA-N 0 1 306.409 4.351 20 10 DICDMN Cc1cc(CC[NH2+]Cc2ccc3ccccc3c2[O-])cc(C)c1O ZINC000816588837 1042066200 /nfs/dbraw/zinc/06/62/00/1042066200.db2.gz CAUAZOLCFLPROZ-UHFFFAOYSA-N 0 1 321.420 4.200 20 10 DICDMN CC(C)c1csc(CNCc2ccc3ccccc3c2O)n1 ZINC000816557460 1042067954 /nfs/dbraw/zinc/06/79/54/1042067954.db2.gz QPFPAGONUJGCMH-UHFFFAOYSA-N 0 1 312.438 4.415 20 10 DICDMN [O-]c1c(C[NH2+]Cc2ccc3ncccc3c2)ccc2ccccc21 ZINC000816595255 1042070273 /nfs/dbraw/zinc/07/02/73/1042070273.db2.gz HBGPTRPQNJHHAZ-UHFFFAOYSA-N 0 1 314.388 4.383 20 10 DICDMN C[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817938535 1042129667 /nfs/dbraw/zinc/12/96/67/1042129667.db2.gz MPRKLYBFCXSFSZ-SNVBAGLBSA-N 0 1 317.260 4.011 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Cl)c(Cl)c1[O-] ZINC000818615171 1042157872 /nfs/dbraw/zinc/15/78/72/1042157872.db2.gz MNXMEBBEHBGDQP-JHJVBQTASA-N 0 1 317.260 4.010 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170961241 1042247628 /nfs/dbraw/zinc/24/76/28/1042247628.db2.gz OYMBILVBVDBFIW-SFHVURJKSA-N 0 1 321.395 4.332 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170961240 1042247721 /nfs/dbraw/zinc/24/77/21/1042247721.db2.gz OYMBILVBVDBFIW-GOSISDBHSA-N 0 1 321.395 4.332 20 10 DICDMN CC(C)N(CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000320073757 1042304564 /nfs/dbraw/zinc/30/45/64/1042304564.db2.gz WQDVMJFGYVQEBK-INIZCTEOSA-N 0 1 314.473 4.315 20 10 DICDMN C[C@@H](N[C@H](C)c1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000279599320 1042324424 /nfs/dbraw/zinc/32/44/24/1042324424.db2.gz WBHGBGXGUIERAQ-RKDXNWHRSA-N 0 1 316.348 4.279 20 10 DICDMN COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)o1 ZINC000137064560 1042485714 /nfs/dbraw/zinc/48/57/14/1042485714.db2.gz BVPUFSQRNHUMEN-HNNXBMFYSA-N 0 1 321.804 4.122 20 10 DICDMN COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])o1 ZINC000137064560 1042485715 /nfs/dbraw/zinc/48/57/15/1042485715.db2.gz BVPUFSQRNHUMEN-HNNXBMFYSA-N 0 1 321.804 4.122 20 10 DICDMN COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])o1 ZINC000137064560 1042485717 /nfs/dbraw/zinc/48/57/17/1042485717.db2.gz BVPUFSQRNHUMEN-HNNXBMFYSA-N 0 1 321.804 4.122 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000271847877 1042670066 /nfs/dbraw/zinc/67/00/66/1042670066.db2.gz WYQLNCNGORWSEP-KGLIPLIRSA-N 0 1 313.401 4.073 20 10 DICDMN Cc1csc(C2(N[C@H](C)c3ccc(N(C)C)cc3)CCC2)n1 ZINC000271963170 1042674079 /nfs/dbraw/zinc/67/40/79/1042674079.db2.gz LNXSANYOSCYJLF-CQSZACIVSA-N 0 1 315.486 4.248 20 10 DICDMN CC[C@@H](NCc1ccn(C2CCCC2)n1)c1ccc(C)cc1O ZINC000794815298 1043059414 /nfs/dbraw/zinc/05/94/14/1043059414.db2.gz JTHLQZDGBYNVGB-GOSISDBHSA-N 0 1 313.445 4.253 20 10 DICDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000185149568 1043195788 /nfs/dbraw/zinc/19/57/88/1043195788.db2.gz GJDNMHONKAVWLU-QWRGUYRKSA-N 0 1 320.776 4.366 20 10 DICDMN CCc1nc([C@H](C)N[C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000185425191 1043200905 /nfs/dbraw/zinc/20/09/05/1043200905.db2.gz XSSRGAVMKKQRNB-ZJUUUORDSA-N 0 1 310.850 4.476 20 10 DICDMN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186157400 1043217012 /nfs/dbraw/zinc/21/70/12/1043217012.db2.gz MCSSMXWAFLTKMO-UWVGGRQHSA-N 0 1 308.809 4.105 20 10 DICDMN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186157419 1043217198 /nfs/dbraw/zinc/21/71/98/1043217198.db2.gz MCSSMXWAFLTKMO-ZJUUUORDSA-N 0 1 308.809 4.105 20 10 DICDMN COc1cc(F)cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000186216463 1043217401 /nfs/dbraw/zinc/21/74/01/1043217401.db2.gz OCNXTCOBAXGNMX-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000186766098 1043233922 /nfs/dbraw/zinc/23/39/22/1043233922.db2.gz AKLPEFKDBTZGSE-KOLCDFICSA-N 0 1 310.850 4.265 20 10 DICDMN Cc1cc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)on1 ZINC000270787521 1043397451 /nfs/dbraw/zinc/39/74/51/1043397451.db2.gz LGAKLHURILSISM-MRXNPFEDSA-N 0 1 322.408 4.452 20 10 DICDMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872133341 1043475015 /nfs/dbraw/zinc/47/50/15/1043475015.db2.gz LWIBJRFZCVHJCQ-RDJZCZTQSA-N 0 1 324.472 4.187 20 10 DICDMN FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219502 1043489434 /nfs/dbraw/zinc/48/94/34/1043489434.db2.gz DQXKSQSTQGDHEY-OAHLLOKOSA-N 0 1 312.379 4.061 20 10 DICDMN CCCOc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1C ZINC000873052540 1043514562 /nfs/dbraw/zinc/51/45/62/1043514562.db2.gz YTAOEFXXUXTAFU-INIZCTEOSA-N 0 1 315.461 4.412 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1cc(Cl)ccc1[O-] ZINC000873288463 1043533362 /nfs/dbraw/zinc/53/33/62/1043533362.db2.gz GIAZAMVCHDBJTQ-HNNXBMFYSA-N 0 1 308.784 4.008 20 10 DICDMN Cc1cc(CN[C@@H](C)c2ccnnc2)c(C)n1-c1cccc(C)c1 ZINC000926765285 1043628743 /nfs/dbraw/zinc/62/87/43/1043628743.db2.gz RXAJSYVPJWKGOC-INIZCTEOSA-N 0 1 320.440 4.043 20 10 DICDMN [O-]c1ccccc1C[N@H+](CCC[C@H]1CCO1)C1CCCCC1 ZINC000876522435 1043693666 /nfs/dbraw/zinc/69/36/66/1043693666.db2.gz QTJBOBFNGDPPDB-SFHVURJKSA-N 0 1 303.446 4.096 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CCC[C@H]1CCO1)C1CCCCC1 ZINC000876522435 1043693672 /nfs/dbraw/zinc/69/36/72/1043693672.db2.gz QTJBOBFNGDPPDB-SFHVURJKSA-N 0 1 303.446 4.096 20 10 DICDMN CC(C)Oc1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001137140569 1043942779 /nfs/dbraw/zinc/94/27/79/1043942779.db2.gz GDMONVXWPUNCIW-UHFFFAOYSA-N 0 1 312.457 4.172 20 10 DICDMN Cc1oncc1CN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000129593312 1044164113 /nfs/dbraw/zinc/16/41/13/1044164113.db2.gz IQGCBVPOCIJHKN-OAHLLOKOSA-N 0 1 322.408 4.452 20 10 DICDMN CCOc1cccc(CN(C)[C@H](C)c2ccccc2F)c1O ZINC000129720958 1044172650 /nfs/dbraw/zinc/17/26/50/1044172650.db2.gz CXZKKMCFTGUFRQ-CYBMUJFWSA-N 0 1 303.377 4.123 20 10 DICDMN COc1cccc(CN(C)[C@@H](C)c2ccccc2Cl)c1O ZINC000130852753 1044218900 /nfs/dbraw/zinc/21/89/00/1044218900.db2.gz PETLNCWVBNKJDB-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792702 1044255921 /nfs/dbraw/zinc/25/59/21/1044255921.db2.gz IOJMYMNCOWWDDZ-KOLCDFICSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792702 1044255929 /nfs/dbraw/zinc/25/59/29/1044255929.db2.gz IOJMYMNCOWWDDZ-KOLCDFICSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]([N@@H+](C)Cc1cccc(Br)c1[O-])C(C)(C)C ZINC000132563180 1044328394 /nfs/dbraw/zinc/32/83/94/1044328394.db2.gz VZRTXZGJNYYCFF-SNVBAGLBSA-N 0 1 300.240 4.021 20 10 DICDMN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000840858845 1044396517 /nfs/dbraw/zinc/39/65/17/1044396517.db2.gz HBQXUMSLFJBKMJ-JZKQVHKSSA-N 0 1 313.441 4.400 20 10 DICDMN C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(F)c(F)c1O ZINC000295012920 1044481094 /nfs/dbraw/zinc/48/10/94/1044481094.db2.gz MYDFUAWGPVAKEV-AAEUAGOBSA-N 0 1 319.351 4.347 20 10 DICDMN Cc1cc(O)c(CNCc2cc(C)cc(Cl)n2)c(Cl)c1 ZINC000840942728 1044544802 /nfs/dbraw/zinc/54/48/02/1044544802.db2.gz BFIBEQYAJOYNBH-UHFFFAOYSA-N 0 1 311.212 4.001 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)NCc2cc(C3CC3)no2)c1O ZINC000886683915 1044679032 /nfs/dbraw/zinc/67/90/32/1044679032.db2.gz ALKVEWDROZVIED-SNVBAGLBSA-N 0 1 306.793 4.070 20 10 DICDMN CC[C@@H](N[C@@H](COCC(C)C)c1ccco1)c1ccccc1O ZINC000155538780 1044703359 /nfs/dbraw/zinc/70/33/59/1044703359.db2.gz VVGSWZCYJJQYSU-SJORKVTESA-N 0 1 317.429 4.440 20 10 DICDMN CC[C@H](N[C@H](COCC(C)C)c1ccco1)c1ccccc1O ZINC000155538886 1044706335 /nfs/dbraw/zinc/70/63/35/1044706335.db2.gz VVGSWZCYJJQYSU-DLBZAZTESA-N 0 1 317.429 4.440 20 10 DICDMN CC[C@@H](N[C@H](COCC(C)C)c1ccco1)c1ccccc1O ZINC000155538996 1044706388 /nfs/dbraw/zinc/70/63/88/1044706388.db2.gz VVGSWZCYJJQYSU-IAGOWNOFSA-N 0 1 317.429 4.440 20 10 DICDMN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])[C@H]1c1cccnc1 ZINC000366535514 1044721305 /nfs/dbraw/zinc/72/13/05/1044721305.db2.gz OQLXXEUXRFBKRG-INIZCTEOSA-N 0 1 302.805 4.024 20 10 DICDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1c1cccnc1 ZINC000366535514 1044721319 /nfs/dbraw/zinc/72/13/19/1044721319.db2.gz OQLXXEUXRFBKRG-INIZCTEOSA-N 0 1 302.805 4.024 20 10 DICDMN Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccccc1O ZINC000778998043 1045112744 /nfs/dbraw/zinc/11/27/44/1045112744.db2.gz GGAYCTZPGWLFRR-SFHVURJKSA-N 0 1 321.424 4.006 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1cc(Cl)ccc1[O-] ZINC000779056052 1045221231 /nfs/dbraw/zinc/22/12/31/1045221231.db2.gz OSVPGFXQJAVUHL-HNNXBMFYSA-N 0 1 323.795 4.434 20 10 DICDMN CCCN(Cc1coc(-c2ccccc2)n1)Cc1ccccc1O ZINC000076073982 1045343619 /nfs/dbraw/zinc/34/36/19/1045343619.db2.gz MRHZKFQLUMJOOW-UHFFFAOYSA-N 0 1 322.408 4.459 20 10 DICDMN Oc1ccccc1CN(Cc1ncccc1Cl)C1CCCC1 ZINC000528378362 1045347348 /nfs/dbraw/zinc/34/73/48/1045347348.db2.gz DLVMUFIYDRCXAB-UHFFFAOYSA-N 0 1 316.832 4.385 20 10 DICDMN CCCCN(Cc1ccccc1O)Cc1ncccc1Cl ZINC000528491974 1045369907 /nfs/dbraw/zinc/36/99/07/1045369907.db2.gz YCXJPBKSUBODLG-UHFFFAOYSA-N 0 1 304.821 4.243 20 10 DICDMN COc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC001120363708 1045537008 /nfs/dbraw/zinc/53/70/08/1045537008.db2.gz IKJULMGRDFQARU-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600129 1045620065 /nfs/dbraw/zinc/62/00/65/1045620065.db2.gz GXKABYRFLJOWRQ-CRAIPNDOSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600129 1045620071 /nfs/dbraw/zinc/62/00/71/1045620071.db2.gz GXKABYRFLJOWRQ-CRAIPNDOSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000800494527 1045631850 /nfs/dbraw/zinc/63/18/50/1045631850.db2.gz XETVRVPVUXPUMG-NTZNESFSSA-N 0 1 313.363 4.495 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)c2c1c(F)ccc2[O-] ZINC000800499871 1045634895 /nfs/dbraw/zinc/63/48/95/1045634895.db2.gz NTQVYPAVRDXGCN-ZWNOBZJWSA-N 0 1 313.363 4.495 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000800498481 1045635588 /nfs/dbraw/zinc/63/55/88/1045635588.db2.gz LCOLAJUTHTUITC-NVXWUHKLSA-N 0 1 323.864 4.436 20 10 DICDMN Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000800992856 1045678099 /nfs/dbraw/zinc/67/80/99/1045678099.db2.gz UIYWYPDUZYJPRY-UGSOOPFHSA-N 0 1 319.832 4.047 20 10 DICDMN Cc1cc(Cl)cc(C[NH2+]C2(C)CCC(F)(F)CC2)c1[O-] ZINC000753568642 1045763034 /nfs/dbraw/zinc/76/30/34/1045763034.db2.gz HFCJHVNOXILSQS-UHFFFAOYSA-N 0 1 303.780 4.412 20 10 DICDMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000193009356 1045960598 /nfs/dbraw/zinc/96/05/98/1045960598.db2.gz TYESMMHSDMZPGS-UONOGXRCSA-N 0 1 316.420 4.312 20 10 DICDMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000193009338 1045960692 /nfs/dbraw/zinc/96/06/92/1045960692.db2.gz TYESMMHSDMZPGS-KGLIPLIRSA-N 0 1 316.420 4.312 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1c([O-])cccc1F ZINC001137832650 1045976957 /nfs/dbraw/zinc/97/69/57/1045976957.db2.gz CFOGYMVNGGMYMY-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(Cl)ccc1[O-] ZINC000756342963 1046068086 /nfs/dbraw/zinc/06/80/86/1046068086.db2.gz MACYQQSHEBVDSJ-GFCCVEGCSA-N 0 1 314.816 4.420 20 10 DICDMN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756381100 1046073909 /nfs/dbraw/zinc/07/39/09/1046073909.db2.gz WXBDPWFXNMETLX-MNOVXSKESA-N 0 1 324.218 4.030 20 10 DICDMN C[C@H]([NH2+]CCc1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000756422977 1046078083 /nfs/dbraw/zinc/07/80/83/1046078083.db2.gz PNVGFVKBTLCENS-JTQLQIEISA-N 0 1 311.759 4.217 20 10 DICDMN CCOc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000756454236 1046085168 /nfs/dbraw/zinc/08/51/68/1046085168.db2.gz BPBXVRONJUYOJV-GFCCVEGCSA-N 0 1 305.805 4.295 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000756473653 1046087335 /nfs/dbraw/zinc/08/73/35/1046087335.db2.gz DKQUJBQXMAWUNP-NEPJUHHUSA-N 0 1 310.235 4.162 20 10 DICDMN C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000756534874 1046095621 /nfs/dbraw/zinc/09/56/21/1046095621.db2.gz LIEFZHHEBTZQCH-IFXJQAMLSA-N 0 1 313.441 4.137 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756554276 1046099011 /nfs/dbraw/zinc/09/90/11/1046099011.db2.gz ORIJQTBEPUZFBH-OLZOCXBDSA-N 0 1 317.816 4.263 20 10 DICDMN Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756635022 1046114004 /nfs/dbraw/zinc/11/40/04/1046114004.db2.gz DFMBPPDIDCEPPF-FOIQADDNSA-N 0 1 321.420 4.238 20 10 DICDMN C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)c2c1c(F)ccc2[O-] ZINC000756647485 1046115587 /nfs/dbraw/zinc/11/55/87/1046115587.db2.gz GZMVNTHQSXPRBM-DZGCQCFKSA-N 0 1 321.436 4.002 20 10 DICDMN COCCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCCC1 ZINC000756648152 1046116515 /nfs/dbraw/zinc/11/65/15/1046116515.db2.gz ZCADYHIGVBLDTB-DZGCQCFKSA-N 0 1 321.436 4.266 20 10 DICDMN C[C@H]([NH2+]CCNc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000756644222 1046116676 /nfs/dbraw/zinc/11/66/76/1046116676.db2.gz ZNSNLPPSQFUXQQ-HNNXBMFYSA-N 0 1 306.409 4.308 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756659874 1046118318 /nfs/dbraw/zinc/11/83/18/1046118318.db2.gz GZBDQLKKYZLPDZ-UHOFOFEASA-N 0 1 321.436 4.001 20 10 DICDMN COCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000195462111 1046119943 /nfs/dbraw/zinc/11/99/43/1046119943.db2.gz GWOVTDVNSLXUGF-UHFFFAOYSA-N 0 1 312.196 4.458 20 10 DICDMN c1cc2c(s1)CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138215878 1046120168 /nfs/dbraw/zinc/12/01/68/1046120168.db2.gz ZRUWJZABFPIKON-UHFFFAOYSA-N 0 1 312.482 4.297 20 10 DICDMN c1cc2c(s1)CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138215878 1046120178 /nfs/dbraw/zinc/12/01/78/1046120178.db2.gz ZRUWJZABFPIKON-UHFFFAOYSA-N 0 1 312.482 4.297 20 10 DICDMN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756684670 1046120638 /nfs/dbraw/zinc/12/06/38/1046120638.db2.gz PESBLSZQVLZACI-LRDDRELGSA-N 0 1 317.816 4.447 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756706110 1046122608 /nfs/dbraw/zinc/12/26/08/1046122608.db2.gz GWOBWLRESDWVNI-XIKOKIGWSA-N 0 1 317.816 4.010 20 10 DICDMN C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc2ccccc2c1[O-] ZINC000756731147 1046124024 /nfs/dbraw/zinc/12/40/24/1046124024.db2.gz YBIINPOLIKEWIB-OAHLLOKOSA-N 0 1 320.436 4.462 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000756757213 1046125725 /nfs/dbraw/zinc/12/57/25/1046125725.db2.gz MHUGQYYRXFIDCU-INWMFGNUSA-N 0 1 321.436 4.265 20 10 DICDMN Cc1c(CN2CCCC(F)(F)[C@H](F)C2)c2ccccc2n1C ZINC001138252429 1046129169 /nfs/dbraw/zinc/12/91/69/1046129169.db2.gz HDNOHFYMFPIMME-MRXNPFEDSA-N 0 1 310.363 4.056 20 10 DICDMN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756769292 1046130599 /nfs/dbraw/zinc/13/05/99/1046130599.db2.gz DONOWSKAMPCJHT-KUHUBIRLSA-N 0 1 315.457 4.239 20 10 DICDMN COc1ccc2c(c1)CN(Cc1c(C)n(C)c3ccccc31)C2 ZINC001138256837 1046131743 /nfs/dbraw/zinc/13/17/43/1046131743.db2.gz MKOMCZJEIQTEAR-UHFFFAOYSA-N 0 1 306.409 4.011 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2cccs2)c(OC)c1 ZINC001138389352 1046161882 /nfs/dbraw/zinc/16/18/82/1046161882.db2.gz MVQXVJXSDFQZDI-UHFFFAOYSA-N 0 1 318.486 4.235 20 10 DICDMN Cc1ccc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)c(O)c1C ZINC000757612263 1046193172 /nfs/dbraw/zinc/19/31/72/1046193172.db2.gz JPAODHXDLQRYDK-CQSZACIVSA-N 0 1 316.420 4.383 20 10 DICDMN Cc1ccc([C@@H](C)Nc2ccc(CN(C)C)c(F)c2)c(O)c1 ZINC000757614618 1046193939 /nfs/dbraw/zinc/19/39/39/1046193939.db2.gz PZXSTBWCOMBCPO-CYBMUJFWSA-N 0 1 302.393 4.074 20 10 DICDMN COCC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccco1 ZINC000757640279 1046196221 /nfs/dbraw/zinc/19/62/21/1046196221.db2.gz XEOSNPDDMKSZOM-SMDDNHRTSA-N 0 1 309.793 4.067 20 10 DICDMN CCc1noc(C)c1CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000757800055 1046215026 /nfs/dbraw/zinc/21/50/26/1046215026.db2.gz IRJMENNRPAWTAT-UHFFFAOYSA-N 0 1 315.461 4.024 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026237334 1046310476 /nfs/dbraw/zinc/31/04/76/1046310476.db2.gz ASAXJHTWQQSHPD-SFHVURJKSA-N 0 1 318.420 4.148 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000026237334 1046310488 /nfs/dbraw/zinc/31/04/88/1046310488.db2.gz ASAXJHTWQQSHPD-SFHVURJKSA-N 0 1 318.420 4.148 20 10 DICDMN CCc1cccnc1[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000780708771 1046400563 /nfs/dbraw/zinc/40/05/63/1046400563.db2.gz HRQCGMPJJOYOGI-MRXNPFEDSA-N 0 1 309.457 4.095 20 10 DICDMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000780793580 1046406548 /nfs/dbraw/zinc/40/65/48/1046406548.db2.gz RTGOCNUFFWUVEP-KOLCDFICSA-N 0 1 307.743 4.208 20 10 DICDMN CCOc1ccc(CN2CCc3cccc(O)c3C2)cc1Cl ZINC001139597216 1046482911 /nfs/dbraw/zinc/48/29/11/1046482911.db2.gz QOLBQILPNUWYKT-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001139685399 1046500291 /nfs/dbraw/zinc/50/02/91/1046500291.db2.gz YAHZERIVTSMQEC-HNNXBMFYSA-N 0 1 317.379 4.125 20 10 DICDMN CSCc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000782534787 1046533993 /nfs/dbraw/zinc/53/39/93/1046533993.db2.gz IBWGFNPFFBHFPT-UHFFFAOYSA-N 0 1 307.846 4.198 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001140058755 1046578405 /nfs/dbraw/zinc/57/84/05/1046578405.db2.gz KXROUOGLLJWBHJ-HNNXBMFYSA-N 0 1 317.379 4.125 20 10 DICDMN COc1cccc([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)c1 ZINC001140055018 1046579167 /nfs/dbraw/zinc/57/91/67/1046579167.db2.gz DSGFKTYLQJYAJX-GOSISDBHSA-N 0 1 315.388 4.267 20 10 DICDMN C[N@H+](Cc1cccc2cccnc21)Cc1c([O-])cccc1Cl ZINC001140341316 1046666564 /nfs/dbraw/zinc/66/65/64/1046666564.db2.gz HOFDIDNBTLFZLS-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN C[N@@H+](Cc1cccc2cccnc21)Cc1c([O-])cccc1Cl ZINC001140341316 1046666571 /nfs/dbraw/zinc/66/65/71/1046666571.db2.gz HOFDIDNBTLFZLS-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001140341798 1046668478 /nfs/dbraw/zinc/66/84/78/1046668478.db2.gz HUGBBNZVIUCNCJ-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cn1 ZINC001140341798 1046668485 /nfs/dbraw/zinc/66/84/85/1046668485.db2.gz HUGBBNZVIUCNCJ-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN CC[N@H+](CCc1ccc(OC)cc1)Cc1c([O-])cccc1Cl ZINC001140342072 1046668664 /nfs/dbraw/zinc/66/86/64/1046668664.db2.gz SLQCSYWCYKFMAA-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN CC[N@@H+](CCc1ccc(OC)cc1)Cc1c([O-])cccc1Cl ZINC001140342072 1046668667 /nfs/dbraw/zinc/66/86/67/1046668667.db2.gz SLQCSYWCYKFMAA-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1ccc2c(c1)C[N@@H+](Cc1c([O-])cccc1Cl)CCC2 ZINC001140342806 1046668917 /nfs/dbraw/zinc/66/89/17/1046668917.db2.gz YZLNXTDXEPMOSF-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN COc1ccc2c(c1)C[N@H+](Cc1c([O-])cccc1Cl)CCC2 ZINC001140342806 1046668919 /nfs/dbraw/zinc/66/89/19/1046668919.db2.gz YZLNXTDXEPMOSF-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(Br)cc1[O-] ZINC000834818447 1046675608 /nfs/dbraw/zinc/67/56/08/1046675608.db2.gz LTKIZFTURLIKKI-VIFPVBQESA-N 0 1 322.193 4.241 20 10 DICDMN C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000834818415 1046676106 /nfs/dbraw/zinc/67/61/06/1046676106.db2.gz LHXKTDHSMPRQEU-OAHLLOKOSA-N 0 1 313.441 4.403 20 10 DICDMN C[C@@H](N[C@H]1CCn2ccnc21)c1ccc(N2CCCCCC2)cc1 ZINC000834834667 1046679827 /nfs/dbraw/zinc/67/98/27/1046679827.db2.gz DWVJRXWMDGQWID-APWZRJJASA-N 0 1 324.472 4.059 20 10 DICDMN C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000834884562 1046696285 /nfs/dbraw/zinc/69/62/85/1046696285.db2.gz NNWRIUGOAMKMQE-PRHODGIISA-N 0 1 308.636 4.280 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1[O-] ZINC000834883215 1046696457 /nfs/dbraw/zinc/69/64/57/1046696457.db2.gz NONRVPYYKUPWLS-UONOGXRCSA-N 0 1 323.864 4.354 20 10 DICDMN C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000834884563 1046697080 /nfs/dbraw/zinc/69/70/80/1046697080.db2.gz NNWRIUGOAMKMQE-QPUJVOFHSA-N 0 1 308.636 4.280 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)c1[O-] ZINC000834883212 1046696900 /nfs/dbraw/zinc/69/69/00/1046696900.db2.gz NONRVPYYKUPWLS-KGLIPLIRSA-N 0 1 323.864 4.354 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1cc(Cl)ccc1[O-] ZINC000834894920 1046705224 /nfs/dbraw/zinc/70/52/24/1046705224.db2.gz MZEIYJPMINWMEX-SMDDNHRTSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@@H](N[C@@H](C)c1nccn1CC)c1cc(Cl)ccc1O ZINC000834894920 1046705238 /nfs/dbraw/zinc/70/52/38/1046705238.db2.gz MZEIYJPMINWMEX-SMDDNHRTSA-N 0 1 307.825 4.064 20 10 DICDMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(N2CCCCC2)cc1 ZINC000834895714 1046705394 /nfs/dbraw/zinc/70/53/94/1046705394.db2.gz CVOGJVZYGSCACE-GJYPPUQNSA-N 0 1 324.472 4.230 20 10 DICDMN CCCc1ncc(CN[C@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000834898204 1046710118 /nfs/dbraw/zinc/71/01/18/1046710118.db2.gz ACVJQEVBOBHCDD-LLVKDONJSA-N 0 1 308.809 4.145 20 10 DICDMN CC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908819 1046715864 /nfs/dbraw/zinc/71/58/64/1046715864.db2.gz HMLCIVDTDTYWGY-DOMZBBRYSA-N 0 1 311.853 4.292 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000834911120 1046717432 /nfs/dbraw/zinc/71/74/32/1046717432.db2.gz RSOHKPVWDJOOED-LSDHHAIUSA-N 0 1 313.441 4.401 20 10 DICDMN COc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CCC2 ZINC001140464138 1046735206 /nfs/dbraw/zinc/73/52/06/1046735206.db2.gz DBASTKKSZGAFHG-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN COc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1[O-])CCC2 ZINC001140464138 1046735213 /nfs/dbraw/zinc/73/52/13/1046735213.db2.gz DBASTKKSZGAFHG-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN COc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1[O-])CCC2 ZINC001140464138 1046735228 /nfs/dbraw/zinc/73/52/28/1046735228.db2.gz DBASTKKSZGAFHG-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(c2ccccc2)CC1 ZINC001140463151 1046736177 /nfs/dbraw/zinc/73/61/77/1046736177.db2.gz VCPTVRARBKGJGI-UHFFFAOYSA-N 0 1 301.817 4.425 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001140466227 1046738899 /nfs/dbraw/zinc/73/88/99/1046738899.db2.gz BVUZLWSEIZTPLY-INIZCTEOSA-N 0 1 302.805 4.168 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001140466227 1046738903 /nfs/dbraw/zinc/73/89/03/1046738903.db2.gz BVUZLWSEIZTPLY-INIZCTEOSA-N 0 1 302.805 4.168 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140466495 1046739775 /nfs/dbraw/zinc/73/97/75/1046739775.db2.gz HMNBQBONFSFZJJ-OAHLLOKOSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140466495 1046739790 /nfs/dbraw/zinc/73/97/90/1046739790.db2.gz HMNBQBONFSFZJJ-OAHLLOKOSA-N 0 1 301.817 4.110 20 10 DICDMN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000797058472 1046782167 /nfs/dbraw/zinc/78/21/67/1046782167.db2.gz FMEPOAPFWDXSLS-SNUQEOBHSA-N 0 1 319.832 4.127 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001140583486 1046792743 /nfs/dbraw/zinc/79/27/43/1046792743.db2.gz ITELGYJLBYFZQV-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])cc(F)cc2F)c1 ZINC001140583637 1046793408 /nfs/dbraw/zinc/79/34/08/1046793408.db2.gz PHKSVSHUFXGZPL-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN CN(C)c1ccc(C[N@@H+](C)CCc2cccs2)c(Cl)c1 ZINC001140923943 1046951848 /nfs/dbraw/zinc/95/18/48/1046951848.db2.gz LUMOOFXQSWBCSK-UHFFFAOYSA-N 0 1 308.878 4.142 20 10 DICDMN Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3O)C2)cc1 ZINC001140949383 1046957333 /nfs/dbraw/zinc/95/73/33/1046957333.db2.gz ANMDNUUJAYYQHL-LJQANCHMSA-N 0 1 311.425 4.052 20 10 DICDMN Cc1cccc(CNc2ccc(Cl)c(CN(C)C)c2)c1O ZINC000798962805 1046992266 /nfs/dbraw/zinc/99/22/66/1046992266.db2.gz ZZDFNPMGWCIQLE-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1[O-] ZINC000799728927 1047059520 /nfs/dbraw/zinc/05/95/20/1047059520.db2.gz NOPNZKJXCTZXFU-GFCCVEGCSA-N 0 1 314.816 4.420 20 10 DICDMN CC1CC([N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367801 1047106862 /nfs/dbraw/zinc/10/68/62/1047106862.db2.gz QSFLGLSFKAKPKZ-UHFFFAOYSA-N 0 1 318.642 4.038 20 10 DICDMN C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc2ccccc2c1[O-] ZINC001116565392 1047156875 /nfs/dbraw/zinc/15/68/75/1047156875.db2.gz QUZYJHVAVZPLLM-JVPBZIDWSA-N 0 1 312.457 4.069 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000839139272 1047197229 /nfs/dbraw/zinc/19/72/29/1047197229.db2.gz ZPJJIMURJDMSKY-UHFFFAOYSA-N 0 1 314.134 4.083 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527770821 1047280342 /nfs/dbraw/zinc/28/03/42/1047280342.db2.gz GWRFRZSNEVZQGR-QGZVFWFLSA-N 0 1 302.805 4.072 20 10 DICDMN COc1cc(CN2CC3(CCC3)[C@H]2c2ccco2)c(O)cc1C ZINC000840139535 1047287913 /nfs/dbraw/zinc/28/79/13/1047287913.db2.gz JNTUGKUSJDBWGV-GOSISDBHSA-N 0 1 313.397 4.029 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000840140703 1047289542 /nfs/dbraw/zinc/28/95/42/1047289542.db2.gz SJPZHPFBTLNJCD-IBGZPJMESA-N 0 1 320.392 4.261 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000840140703 1047289554 /nfs/dbraw/zinc/28/95/54/1047289554.db2.gz SJPZHPFBTLNJCD-IBGZPJMESA-N 0 1 320.392 4.261 20 10 DICDMN C[C@H]([NH2+]CCOCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000390192900 1047294391 /nfs/dbraw/zinc/29/43/91/1047294391.db2.gz ODWQYEJFOVATLX-INIZCTEOSA-N 0 1 321.420 4.413 20 10 DICDMN C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000390192901 1047295060 /nfs/dbraw/zinc/29/50/60/1047295060.db2.gz ODWQYEJFOVATLX-MRXNPFEDSA-N 0 1 321.420 4.413 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000390933121 1047301847 /nfs/dbraw/zinc/30/18/47/1047301847.db2.gz MWKPSOHDDMJIEG-CVEARBPZSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc2ccccc2c1[O-] ZINC000391191205 1047303111 /nfs/dbraw/zinc/30/31/11/1047303111.db2.gz YSDRJLUVLIFZQB-OAHLLOKOSA-N 0 1 313.441 4.139 20 10 DICDMN CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])OC ZINC000394444150 1047311500 /nfs/dbraw/zinc/31/15/00/1047311500.db2.gz LYGOOYVXRPBWEU-PMUMKWKESA-N 0 1 301.430 4.257 20 10 DICDMN CCOc1ccc(CN[C@@H](c2ccco2)c2ccccc2)c(O)c1 ZINC000725844268 1047319149 /nfs/dbraw/zinc/31/91/49/1047319149.db2.gz QAXCQOHQCMNKSM-HXUWFJFHSA-N 0 1 323.392 4.263 20 10 DICDMN CC(C)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000725845710 1047319831 /nfs/dbraw/zinc/31/98/31/1047319831.db2.gz IDVZZNUCWIZAQY-UHFFFAOYSA-N 0 1 305.805 4.123 20 10 DICDMN C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)c2c1c(F)ccc2[O-] ZINC000840808930 1047336821 /nfs/dbraw/zinc/33/68/21/1047336821.db2.gz YLFMWZKSEFXOTB-HHISKICNSA-N 0 1 313.363 4.493 20 10 DICDMN C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccnc2)c2c1c(F)ccc2[O-] ZINC000840890571 1047354225 /nfs/dbraw/zinc/35/42/25/1047354225.db2.gz ATPJWKYBAVPPJQ-WFASDCNBSA-N 0 1 314.404 4.042 20 10 DICDMN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Cl)ccc1[O-] ZINC000840891490 1047354756 /nfs/dbraw/zinc/35/47/56/1047354756.db2.gz HUNSMGGVNDCIOG-LBPRGKRZSA-N 0 1 304.821 4.069 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccnc2)c2c1c(F)ccc2[O-] ZINC000840890565 1047355312 /nfs/dbraw/zinc/35/53/12/1047355312.db2.gz ATPJWKYBAVPPJQ-DOMZBBRYSA-N 0 1 314.404 4.042 20 10 DICDMN CCOc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1F ZINC000840895260 1047357585 /nfs/dbraw/zinc/35/75/85/1047357585.db2.gz ZZOORAKXBPUSRT-UHFFFAOYSA-N 0 1 323.795 4.182 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c(Cl)c1 ZINC000840906425 1047358364 /nfs/dbraw/zinc/35/83/64/1047358364.db2.gz HCHMNSQWKCECIE-MLGOLLRUSA-N 0 1 311.853 4.037 20 10 DICDMN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1nc(C)cs1 ZINC000840934511 1047361768 /nfs/dbraw/zinc/36/17/68/1047361768.db2.gz RBROBOOQFVFXBZ-MRXNPFEDSA-N 0 1 303.475 4.067 20 10 DICDMN CCSc1cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)ccn1 ZINC000840938858 1047361887 /nfs/dbraw/zinc/36/18/87/1047361887.db2.gz IDIWWZFHCJMRDJ-UHFFFAOYSA-N 0 1 322.861 4.151 20 10 DICDMN CSCc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000796515098 1047366171 /nfs/dbraw/zinc/36/61/71/1047366171.db2.gz XYGPAJUNQSUYEB-UHFFFAOYSA-N 0 1 307.846 4.198 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCc3cc(N)ccc32)c(Cl)c1 ZINC000841058100 1047377431 /nfs/dbraw/zinc/37/74/31/1047377431.db2.gz GHQXFTUCPGRCPI-KRWDZBQOSA-N 0 1 316.832 4.103 20 10 DICDMN COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841747654 1047448223 /nfs/dbraw/zinc/44/82/23/1047448223.db2.gz GYHVCUYOXVZUIY-MLGOLLRUSA-N 0 1 305.805 4.084 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1F ZINC000841744743 1047448994 /nfs/dbraw/zinc/44/89/94/1047448994.db2.gz SJYLFNRMHRJPIE-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(Cl)cc1[O-] ZINC000841748273 1047449006 /nfs/dbraw/zinc/44/90/06/1047449006.db2.gz JTXRNQRQHTVMGZ-BONVTDFDSA-N 0 1 321.779 4.359 20 10 DICDMN Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841753509 1047451590 /nfs/dbraw/zinc/45/15/90/1047451590.db2.gz UXTPLTHGSQTWKU-JTQLQIEISA-N 0 1 311.212 4.253 20 10 DICDMN CCc1nc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841757254 1047453923 /nfs/dbraw/zinc/45/39/23/1047453923.db2.gz COYSTNILIZJRJQ-UWVGGRQHSA-N 0 1 310.850 4.476 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142508493 1047462873 /nfs/dbraw/zinc/46/28/73/1047462873.db2.gz AQKMTMOMGFCWDQ-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142508494 1047463418 /nfs/dbraw/zinc/46/34/18/1047463418.db2.gz AQKMTMOMGFCWDQ-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN C[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])CC(F)F ZINC000842889818 1047512748 /nfs/dbraw/zinc/51/27/48/1047512748.db2.gz HISIZQMCVDWDIN-RKDXNWHRSA-N 0 1 322.193 4.097 20 10 DICDMN COc1ccccc1C1(N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000842900181 1047512823 /nfs/dbraw/zinc/51/28/23/1047512823.db2.gz FYGNQSAMYGYPPD-OAHLLOKOSA-N 0 1 310.441 4.101 20 10 DICDMN Oc1c(Cl)cccc1CNCC(F)(F)c1ccc(F)cc1 ZINC001183060479 1047888339 /nfs/dbraw/zinc/88/83/39/1047888339.db2.gz WWZHULPPOCCVRA-UHFFFAOYSA-N 0 1 315.722 4.066 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](Sc2ccccc2)C1 ZINC001183121127 1047889305 /nfs/dbraw/zinc/88/93/05/1047889305.db2.gz DZKUVXGJOHMAQC-KOMQPUFPSA-N 0 1 319.857 4.459 20 10 DICDMN CCc1cccc(CNC2(c3c(F)cccc3F)CCC2)c1O ZINC001183188502 1047902355 /nfs/dbraw/zinc/90/23/55/1047902355.db2.gz MGPYFFISFHAHHO-UHFFFAOYSA-N 0 1 317.379 4.402 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001203574020 1047953429 /nfs/dbraw/zinc/95/34/29/1047953429.db2.gz JWFNSUKGVPFHIB-MNOVXSKESA-N 0 1 300.229 4.321 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001203574022 1047954091 /nfs/dbraw/zinc/95/40/91/1047954091.db2.gz JWFNSUKGVPFHIB-WDEREUQCSA-N 0 1 300.229 4.321 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1Cl ZINC001183799030 1047966414 /nfs/dbraw/zinc/96/64/14/1047966414.db2.gz IYWKONCXTSYNEC-APWZRJJASA-N 0 1 313.828 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1Cl ZINC001183799030 1047966427 /nfs/dbraw/zinc/96/64/27/1047966427.db2.gz IYWKONCXTSYNEC-APWZRJJASA-N 0 1 313.828 4.128 20 10 DICDMN COc1ccc2c(ccnc2NCc2c(C)cc(C)cc2O)c1 ZINC001160807755 1048085583 /nfs/dbraw/zinc/08/55/83/1048085583.db2.gz BSPIROCBQNZFMK-UHFFFAOYSA-N 0 1 308.381 4.178 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC001203656125 1048387135 /nfs/dbraw/zinc/38/71/35/1048387135.db2.gz IVXBPEYIOQZCQN-UHFFFAOYSA-N 0 1 301.817 4.425 20 10 DICDMN Cc1cc(CN[C@@H](C)c2cccc(F)c2F)ccc1N(C)C ZINC000776310091 1048564194 /nfs/dbraw/zinc/56/41/94/1048564194.db2.gz ONCYCZWBNBYQBM-ZDUSSCGKSA-N 0 1 304.384 4.190 20 10 DICDMN Cc1cc(CN(C)Cc2cccnc2)c(C)n1-c1ccccc1 ZINC001137854399 1048580372 /nfs/dbraw/zinc/58/03/72/1048580372.db2.gz UWZHYWMANCVALX-UHFFFAOYSA-N 0 1 305.425 4.121 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391039 1048646665 /nfs/dbraw/zinc/64/66/65/1048646665.db2.gz BKXUGQJESSZRLY-UHFFFAOYSA-N 0 1 301.764 4.103 20 10 DICDMN CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850536623 1048684219 /nfs/dbraw/zinc/68/42/19/1048684219.db2.gz MBIROYQUQDXMNC-YPMHNXCESA-N 0 1 323.305 4.497 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543081 1048687176 /nfs/dbraw/zinc/68/71/76/1048687176.db2.gz XZPJESPLFRHQTD-SJORKVTESA-N 0 1 317.816 4.479 20 10 DICDMN CCSC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000850551000 1048689279 /nfs/dbraw/zinc/68/92/79/1048689279.db2.gz FYYNTJJGAFHUKU-ZDUSSCGKSA-N 0 1 301.455 4.482 20 10 DICDMN CC[C@@H]([NH2+]CCC1SCCS1)c1cc(Cl)ccc1[O-] ZINC000850569137 1048695965 /nfs/dbraw/zinc/69/59/65/1048695965.db2.gz VEIKZNKDNDVKLZ-GFCCVEGCSA-N 0 1 317.907 4.283 20 10 DICDMN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000850585524 1048700644 /nfs/dbraw/zinc/70/06/44/1048700644.db2.gz YXQMBXPQORTMNW-PZPSRYQVSA-N 0 1 319.832 4.208 20 10 DICDMN CC(C)(C)c1cnc(SCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC001165808680 1048717046 /nfs/dbraw/zinc/71/70/46/1048717046.db2.gz MWLYLHKFAVOJIV-UHFFFAOYSA-N 0 1 324.427 4.347 20 10 DICDMN CC(C)C[C@H](C)OC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001190975768 1048810408 /nfs/dbraw/zinc/81/04/08/1048810408.db2.gz LCZJWERXZHBZKN-VIFPVBQESA-N 0 1 320.216 4.360 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001203363414 1048882612 /nfs/dbraw/zinc/88/26/12/1048882612.db2.gz QDLSXILAKUUEEA-OAHLLOKOSA-N 0 1 308.208 4.476 20 10 DICDMN CCOc1ccccc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001203541318 1048925073 /nfs/dbraw/zinc/92/50/73/1048925073.db2.gz TULCTFDIOYNHFF-UHFFFAOYSA-N 0 1 324.468 4.318 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001203581043 1048935150 /nfs/dbraw/zinc/93/51/50/1048935150.db2.gz ZIMHFJPYGKISSC-LBPRGKRZSA-N 0 1 323.223 4.084 20 10 DICDMN CCOc1cccc(CN2CCc3cccc(Cl)c3C2)c1O ZINC001203614933 1048941974 /nfs/dbraw/zinc/94/19/74/1048941974.db2.gz HMZSPTPCIFGXFV-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854223100 1048955104 /nfs/dbraw/zinc/95/51/04/1048955104.db2.gz NFSOXOFGYGLBNN-LBPRGKRZSA-N 0 1 317.260 4.011 20 10 DICDMN CC[C@](C)(NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC001177885804 1048957793 /nfs/dbraw/zinc/95/77/93/1048957793.db2.gz SYVVPKSRXKQXPS-IBGZPJMESA-N 0 1 318.411 4.446 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@H]2c2c(F)cccc2F)c1 ZINC001203681187 1048961806 /nfs/dbraw/zinc/96/18/06/1048961806.db2.gz PVCZFSYLXXFQOG-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN Cc1csc(C2([NH2+]Cc3cc(Cl)ccc3[O-])CCCC2)n1 ZINC000112711122 1048994986 /nfs/dbraw/zinc/99/49/86/1048994986.db2.gz ADRMYTOILYPHFP-UHFFFAOYSA-N 0 1 322.861 4.370 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000775484515 1049002634 /nfs/dbraw/zinc/00/26/34/1049002634.db2.gz DCLOBYCNKUVWSU-QGZVFWFLSA-N 0 1 318.848 4.353 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000775490656 1049013756 /nfs/dbraw/zinc/01/37/56/1049013756.db2.gz CZGNRBGAWCKKCW-CYBMUJFWSA-N 0 1 311.212 4.335 20 10 DICDMN Oc1ccc(CN2CCC(c3ccccc3Cl)CC2)cc1O ZINC001203878544 1049021213 /nfs/dbraw/zinc/02/12/13/1049021213.db2.gz BOWCNEUKTSJZHI-UHFFFAOYSA-N 0 1 317.816 4.131 20 10 DICDMN CN(Cc1ccc(O)c(O)c1)Cc1ccc(Cl)c(Cl)c1 ZINC001203877105 1049021483 /nfs/dbraw/zinc/02/14/83/1049021483.db2.gz DEKDTCOZONZKAE-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN Cc1cc(C[NH+](C)C)cc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001178386594 1049025580 /nfs/dbraw/zinc/02/55/80/1049025580.db2.gz GIPAPAHUEORCMI-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1F ZINC000113312985 1049031748 /nfs/dbraw/zinc/03/17/48/1049031748.db2.gz WSZJXBKVIIPAFA-LLVKDONJSA-N 0 1 308.347 4.021 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497854 1049032593 /nfs/dbraw/zinc/03/25/93/1049032593.db2.gz WSMQIGJHHRNTNM-ZWNOBZJWSA-N 0 1 319.276 4.080 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000775501572 1049040451 /nfs/dbraw/zinc/04/04/51/1049040451.db2.gz IAOLOMQRLUADNZ-HZPDHXFCSA-N 0 1 317.816 4.479 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCOc2cccc(F)c2)c(Cl)c1 ZINC001203961295 1049045924 /nfs/dbraw/zinc/04/59/24/1049045924.db2.gz OOPWTQBAVKCQAJ-UHFFFAOYSA-N 0 1 323.795 4.052 20 10 DICDMN CC[C@H]([NH2+][C@@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775511101 1049054306 /nfs/dbraw/zinc/05/43/06/1049054306.db2.gz BEJOUNSZZWLXKD-GJZGRUSLSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@H](N[C@@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775511101 1049054318 /nfs/dbraw/zinc/05/43/18/1049054318.db2.gz BEJOUNSZZWLXKD-GJZGRUSLSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@@H]([NH2+][C@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775511102 1049055349 /nfs/dbraw/zinc/05/53/49/1049055349.db2.gz BEJOUNSZZWLXKD-HUUCEWRRSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@@H](N[C@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775511102 1049055361 /nfs/dbraw/zinc/05/53/61/1049055361.db2.gz BEJOUNSZZWLXKD-HUUCEWRRSA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccnc(SC)c1)c1cc(Cl)ccc1[O-] ZINC000775520136 1049074961 /nfs/dbraw/zinc/07/49/61/1049074961.db2.gz QALLXEXFQGEQRC-CQSZACIVSA-N 0 1 322.861 4.403 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000775518556 1049075875 /nfs/dbraw/zinc/07/58/75/1049075875.db2.gz CVEDSCZKSVZYOR-UKPHBRMFSA-N 0 1 311.853 4.290 20 10 DICDMN CC[C@H]([NH2+]CCc1cnc(C)s1)c1cc(Cl)ccc1[O-] ZINC000775522711 1049082405 /nfs/dbraw/zinc/08/24/05/1049082405.db2.gz YMPSNHJUQVNLHK-AWEZNQCLSA-N 0 1 310.850 4.094 20 10 DICDMN CC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524968 1049088920 /nfs/dbraw/zinc/08/89/20/1049088920.db2.gz VGTTVLZKZWQXBB-IRXDYDNUSA-N 0 1 319.832 4.474 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001178831263 1049096191 /nfs/dbraw/zinc/09/61/91/1049096191.db2.gz MVJICSPFRQIJHZ-AWEZNQCLSA-N 0 1 301.817 4.255 20 10 DICDMN CCN(C)c1ccc(CN[C@](C)(CC)c2nc(C)cs2)cc1 ZINC000773787363 1049115518 /nfs/dbraw/zinc/11/55/18/1049115518.db2.gz OMPBEMJWLONTMP-GOSISDBHSA-N 0 1 317.502 4.323 20 10 DICDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cc(F)cc(F)c1 ZINC001204234626 1049116172 /nfs/dbraw/zinc/11/61/72/1049116172.db2.gz TVCBZRWLLDFYFA-UHFFFAOYSA-N 0 1 316.395 4.197 20 10 DICDMN Cc1c(NCc2cc(Cl)cc(Cl)c2O)n[nH]c1C(C)C ZINC001179024310 1049119228 /nfs/dbraw/zinc/11/92/28/1049119228.db2.gz GSXJCVOLLFCOLT-UHFFFAOYSA-N 0 1 314.216 4.466 20 10 DICDMN CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000857059438 1049124340 /nfs/dbraw/zinc/12/43/40/1049124340.db2.gz PQSXPFZQLXSJHO-JQWIXIFHSA-N 0 1 323.305 4.497 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)ccc2ccccc21 ZINC000857062346 1049124947 /nfs/dbraw/zinc/12/49/47/1049124947.db2.gz KABRERBMKGXQAP-CYBMUJFWSA-N 0 1 310.224 4.219 20 10 DICDMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC001204309052 1049139094 /nfs/dbraw/zinc/13/90/94/1049139094.db2.gz XLIPKQWLMUTUFW-CQSZACIVSA-N 0 1 303.833 4.417 20 10 DICDMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccccc1O ZINC000775548399 1049139509 /nfs/dbraw/zinc/13/95/09/1049139509.db2.gz YPXVCPBKLYHIAP-KRWDZBQOSA-N 0 1 302.393 4.156 20 10 DICDMN COCC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C)c1ccccc1 ZINC001204315250 1049140412 /nfs/dbraw/zinc/14/04/12/1049140412.db2.gz TZKMVJMCAOMZRL-AWEZNQCLSA-N 0 1 319.832 4.255 20 10 DICDMN COCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C)c1ccccc1 ZINC001204315250 1049140416 /nfs/dbraw/zinc/14/04/16/1049140416.db2.gz TZKMVJMCAOMZRL-AWEZNQCLSA-N 0 1 319.832 4.255 20 10 DICDMN CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775550823 1049143230 /nfs/dbraw/zinc/14/32/30/1049143230.db2.gz CGJKTJWGKSVHKH-IOASZLSFSA-N 0 1 311.853 4.292 20 10 DICDMN CC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000775554588 1049147410 /nfs/dbraw/zinc/14/74/10/1049147410.db2.gz BVDUYCNEGSGPAV-GOEBONIOSA-N 0 1 311.853 4.436 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC001179298777 1049151076 /nfs/dbraw/zinc/15/10/76/1049151076.db2.gz DQMDGHINDVARGM-UHFFFAOYSA-N 0 1 321.751 4.416 20 10 DICDMN CC[C@H](N[C@@H](C)c1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775555923 1049153644 /nfs/dbraw/zinc/15/36/44/1049153644.db2.gz SMZKKBMNNSXUJL-UFBFGSQYSA-N 0 1 311.838 4.007 20 10 DICDMN CCN(C)c1ccc(CN[C@H](C)c2c(F)cccc2OC)cc1 ZINC000773813803 1049171103 /nfs/dbraw/zinc/17/11/03/1049171103.db2.gz WEVBOFZEOIKUMK-CQSZACIVSA-N 0 1 316.420 4.141 20 10 DICDMN Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001204571767 1049191784 /nfs/dbraw/zinc/19/17/84/1049191784.db2.gz CXFNPBIQFJCMOW-KRWDZBQOSA-N 0 1 317.379 4.186 20 10 DICDMN Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001204571768 1049192436 /nfs/dbraw/zinc/19/24/36/1049192436.db2.gz CXFNPBIQFJCMOW-QGZVFWFLSA-N 0 1 317.379 4.186 20 10 DICDMN CCN(C)c1ccc(CN[C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000773834520 1049212776 /nfs/dbraw/zinc/21/27/76/1049212776.db2.gz GIFNYZFGVSGLJH-KRWDZBQOSA-N 0 1 315.486 4.149 20 10 DICDMN CN(C)c1cc(F)c(CN[C@H](c2cccs2)C2CC2)cc1F ZINC000858089979 1049216300 /nfs/dbraw/zinc/21/63/00/1049216300.db2.gz GXUXUNUENPNXAQ-KRWDZBQOSA-N 0 1 322.424 4.333 20 10 DICDMN CC(C)=CCC/C(C)=C/CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193625245 1049232555 /nfs/dbraw/zinc/23/25/55/1049232555.db2.gz FHRMFRIOFRFHGP-KPKJPENVSA-N 0 1 323.820 4.174 20 10 DICDMN CCc1cccc(CC)c1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193624672 1049233383 /nfs/dbraw/zinc/23/33/83/1049233383.db2.gz IZOCDCMTNYUXIL-UHFFFAOYSA-N 0 1 319.788 4.128 20 10 DICDMN Cc1cc(CNCc2cncn2C(C)C)c(C)n1-c1ccccc1 ZINC000858295314 1049236984 /nfs/dbraw/zinc/23/69/84/1049236984.db2.gz YNRJRCJFXSOQNR-UHFFFAOYSA-N 0 1 322.456 4.161 20 10 DICDMN CCc1nocc1CNCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858294409 1049237481 /nfs/dbraw/zinc/23/74/81/1049237481.db2.gz YMBOZQVQCFCDGZ-UHFFFAOYSA-N 0 1 323.440 4.243 20 10 DICDMN C[C@H](Nc1cnn(CCF)c1)c1ccc(Cl)c(Cl)c1O ZINC000858491413 1049263932 /nfs/dbraw/zinc/26/39/32/1049263932.db2.gz HDZNNNRZZICKAY-QMMMGPOBSA-N 0 1 318.179 4.038 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2CCc2ccccc2)ccc(F)c1F ZINC001180043180 1049264394 /nfs/dbraw/zinc/26/43/94/1049264394.db2.gz PMEWCGYNOYNPLK-MRXNPFEDSA-N 0 1 317.379 4.268 20 10 DICDMN CC[C@H](NCc1cc(C)n(-c2ccccc2)c1C)c1ccn(C)n1 ZINC000858541664 1049271567 /nfs/dbraw/zinc/27/15/67/1049271567.db2.gz CTBAZHGLLIGXHT-IBGZPJMESA-N 0 1 322.456 4.069 20 10 DICDMN Oc1cccc2c1[C@@H](NC1(c3c(F)cccc3F)CCC1)CC2 ZINC000858603674 1049284860 /nfs/dbraw/zinc/28/48/60/1049284860.db2.gz FQXSCQMOWDUEET-HNNXBMFYSA-N 0 1 315.363 4.327 20 10 DICDMN [O-]c1c(C[N@@H+](Cc2ccccc2F)C2CCC2)ccc(F)c1F ZINC001180112110 1049288211 /nfs/dbraw/zinc/28/82/11/1049288211.db2.gz GTMKWMNOEYQKOZ-UHFFFAOYSA-N 0 1 321.342 4.364 20 10 DICDMN CCC[N@H+](Cc1ccccc1O)Cc1c([O-])cc(C)cc1Cl ZINC001180194510 1049313374 /nfs/dbraw/zinc/31/33/74/1049313374.db2.gz GAAQTFPSTQRLIP-UHFFFAOYSA-N 0 1 319.832 4.472 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)Cc1c([O-])cc(C)cc1Cl ZINC001180194510 1049313380 /nfs/dbraw/zinc/31/33/80/1049313380.db2.gz GAAQTFPSTQRLIP-UHFFFAOYSA-N 0 1 319.832 4.472 20 10 DICDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001205046528 1049352004 /nfs/dbraw/zinc/35/20/04/1049352004.db2.gz QVLQHHXMNCKZOX-CYBMUJFWSA-N 0 1 312.251 4.228 20 10 DICDMN CCCCC[N@H+](CCCOC)Cc1c([O-])cc(C)cc1Cl ZINC001180802371 1049408210 /nfs/dbraw/zinc/40/82/10/1049408210.db2.gz ODWZRMJOXODXIB-UHFFFAOYSA-N 0 1 313.869 4.383 20 10 DICDMN CCCCC[N@@H+](CCCOC)Cc1c([O-])cc(C)cc1Cl ZINC001180802371 1049408216 /nfs/dbraw/zinc/40/82/16/1049408216.db2.gz ODWZRMJOXODXIB-UHFFFAOYSA-N 0 1 313.869 4.383 20 10 DICDMN Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cc1 ZINC001180821484 1049408580 /nfs/dbraw/zinc/40/85/80/1049408580.db2.gz ZQTTVWDIHACBEB-CQSZACIVSA-N 0 1 319.807 4.483 20 10 DICDMN Oc1c(Cl)cccc1CN(Cc1c(F)cccc1F)C1CC1 ZINC001180872343 1049413973 /nfs/dbraw/zinc/41/39/73/1049413973.db2.gz CLFUQQAROCPDRX-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC001180872343 1049413979 /nfs/dbraw/zinc/41/39/79/1049413979.db2.gz CLFUQQAROCPDRX-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC001180872343 1049413983 /nfs/dbraw/zinc/41/39/83/1049413983.db2.gz CLFUQQAROCPDRX-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1Cl ZINC001205292022 1049428702 /nfs/dbraw/zinc/42/87/02/1049428702.db2.gz VKZCSZAZYUCAGU-PXAZEXFGSA-N 0 1 316.832 4.332 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1Cl ZINC001205292022 1049428708 /nfs/dbraw/zinc/42/87/08/1049428708.db2.gz VKZCSZAZYUCAGU-PXAZEXFGSA-N 0 1 316.832 4.332 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC001205526550 1049491128 /nfs/dbraw/zinc/49/11/28/1049491128.db2.gz ACXGGOXQKZMYDU-BXKJMJEDSA-N 0 1 324.443 4.337 20 10 DICDMN CCOc1ccccc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775649979 1049521023 /nfs/dbraw/zinc/52/10/23/1049521023.db2.gz VSGWINFXKWLPLP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccccc1 ZINC000775656999 1049533227 /nfs/dbraw/zinc/53/32/27/1049533227.db2.gz SJQZCWOJTNIIES-CQSZACIVSA-N 0 1 319.832 4.255 20 10 DICDMN [O-]c1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCC[C@@H]31)oc1ccccc12 ZINC000863305856 1049554590 /nfs/dbraw/zinc/55/45/90/1049554590.db2.gz CNIWLQZFNPSGSN-QFBILLFUSA-N 0 1 323.392 4.045 20 10 DICDMN [O-]c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCC[C@@H]31)oc1ccccc12 ZINC000863305856 1049554599 /nfs/dbraw/zinc/55/45/99/1049554599.db2.gz CNIWLQZFNPSGSN-QFBILLFUSA-N 0 1 323.392 4.045 20 10 DICDMN CC[C@H](C)Oc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864020800 1049625886 /nfs/dbraw/zinc/62/58/86/1049625886.db2.gz ZSHXNUXBGLDKRA-NSHDSACASA-N 0 1 307.340 4.460 20 10 DICDMN CCOc1cc(Cl)ccc1NCc1ccc(F)c(F)c1O ZINC000864021636 1049625953 /nfs/dbraw/zinc/62/59/53/1049625953.db2.gz BOQWMGTVMQVGSM-UHFFFAOYSA-N 0 1 313.731 4.335 20 10 DICDMN CC(C)OCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864020702 1049626048 /nfs/dbraw/zinc/62/60/48/1049626048.db2.gz SNLYERQETNLQES-UHFFFAOYSA-N 0 1 307.340 4.208 20 10 DICDMN Oc1c(CNc2cccc(C(F)(F)F)c2)ccc(F)c1F ZINC000864021908 1049626197 /nfs/dbraw/zinc/62/61/97/1049626197.db2.gz AFFSQZQRBFPJER-UHFFFAOYSA-N 0 1 303.230 4.301 20 10 DICDMN CC[C@H](C)Oc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864020555 1049626603 /nfs/dbraw/zinc/62/66/03/1049626603.db2.gz ICSHBDLWLRHFDM-NSHDSACASA-N 0 1 307.340 4.460 20 10 DICDMN CC(F)(F)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[O-])cc1 ZINC001206014693 1049629209 /nfs/dbraw/zinc/62/92/09/1049629209.db2.gz FVNNRLNNHKWGCF-UHFFFAOYSA-N 0 1 311.759 4.447 20 10 DICDMN COc1ccc(NCc2ccc(F)c(F)c2O)cc1OC(C)C ZINC000864034009 1049632948 /nfs/dbraw/zinc/63/29/48/1049632948.db2.gz QQCMFDOLAYLGGT-UHFFFAOYSA-N 0 1 323.339 4.078 20 10 DICDMN CC1(C)CCN(Cc2ccc(F)c(F)c2O)c2ccccc21 ZINC001206078378 1049649133 /nfs/dbraw/zinc/64/91/33/1049649133.db2.gz VGKSLGVYGGIUEH-UHFFFAOYSA-N 0 1 303.352 4.358 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c(Cl)c1 ZINC001182445134 1049655202 /nfs/dbraw/zinc/65/52/02/1049655202.db2.gz WPGHYSRMMAHURK-UHFFFAOYSA-N 0 1 311.853 4.132 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)C2CC(OC(C)(C)C)C2)c(Cl)c1 ZINC001182445134 1049655206 /nfs/dbraw/zinc/65/52/06/1049655206.db2.gz WPGHYSRMMAHURK-UHFFFAOYSA-N 0 1 311.853 4.132 20 10 DICDMN C[C@H]1CN(Cc2cccc(Cl)c2O)[C@H](c2ccccc2)CO1 ZINC000775718820 1049661129 /nfs/dbraw/zinc/66/11/29/1049661129.db2.gz PYOPQWJDYIMSIG-GUYCJALGSA-N 0 1 317.816 4.008 20 10 DICDMN C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775718820 1049661134 /nfs/dbraw/zinc/66/11/34/1049661134.db2.gz PYOPQWJDYIMSIG-GUYCJALGSA-N 0 1 317.816 4.008 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775718820 1049661141 /nfs/dbraw/zinc/66/11/41/1049661141.db2.gz PYOPQWJDYIMSIG-GUYCJALGSA-N 0 1 317.816 4.008 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000775724699 1049672386 /nfs/dbraw/zinc/67/23/86/1049672386.db2.gz MWFJGOQSMXPMQO-KGLIPLIRSA-N 0 1 315.841 4.045 20 10 DICDMN CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cc(Cl)ccc1[O-] ZINC000774485622 1049675313 /nfs/dbraw/zinc/67/53/13/1049675313.db2.gz QDOVNCPJKLMTOS-WMZOPIPTSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cc(Cl)ccc1[O-] ZINC000774492235 1049675615 /nfs/dbraw/zinc/67/56/15/1049675615.db2.gz QDOVNCPJKLMTOS-SJLPKXTDSA-N 0 1 319.832 4.128 20 10 DICDMN Oc1c(F)cc(Cl)cc1CN(CC(F)F)CC1CCC1 ZINC000775735994 1049681706 /nfs/dbraw/zinc/68/17/06/1049681706.db2.gz IJZKXJKCEVJXNV-UHFFFAOYSA-N 0 1 307.743 4.052 20 10 DICDMN CCc1ccc([C@H](COC)N[C@@H](CC)c2ccc(C)cc2O)o1 ZINC000794802430 1049696787 /nfs/dbraw/zinc/69/67/87/1049696787.db2.gz ODMMYMWUDRXMHT-IRXDYDNUSA-N 0 1 317.429 4.284 20 10 DICDMN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001206517557 1049750612 /nfs/dbraw/zinc/75/06/12/1049750612.db2.gz WIUMFICCSIIGFZ-KRWDZBQOSA-N 0 1 301.817 4.440 20 10 DICDMN Cc1ccnc(NCc2cc(Cl)c(F)cc2O)c1C1CC1 ZINC001206590770 1049763747 /nfs/dbraw/zinc/76/37/47/1049763747.db2.gz MBRDSRSZQXLMRY-UHFFFAOYSA-N 0 1 306.768 4.378 20 10 DICDMN CCN(Cc1cc(-c2ccccc2)on1)Cc1ccccc1O ZINC001206848363 1049813619 /nfs/dbraw/zinc/81/36/19/1049813619.db2.gz XRNXXKKRNHUJFT-UHFFFAOYSA-N 0 1 308.381 4.069 20 10 DICDMN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000164497172 1049947166 /nfs/dbraw/zinc/94/71/66/1049947166.db2.gz VIGDKOIIMRCCRR-PBHICJAKSA-N 0 1 317.454 4.033 20 10 DICDMN Oc1cccc2c1C[N@@H+](Cc1cccc3[nH]cc(Cl)c31)CC2 ZINC001209659392 1050074594 /nfs/dbraw/zinc/07/45/94/1050074594.db2.gz NOKCHWBZPSLVQN-UHFFFAOYSA-N 0 1 312.800 4.085 20 10 DICDMN Nc1ccc(Cc2ccc(Nc3ccc4nc[nH]c4c3)cc2)cc1 ZINC001209847383 1050094691 /nfs/dbraw/zinc/09/46/91/1050094691.db2.gz AJVZYUIKGGCJSX-UHFFFAOYSA-N 0 1 314.392 4.480 20 10 DICDMN CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000770744662 1050191607 /nfs/dbraw/zinc/19/16/07/1050191607.db2.gz BDISGDHAEHBPCB-APPDUMDISA-N 0 1 323.795 4.051 20 10 DICDMN CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000770744669 1050192501 /nfs/dbraw/zinc/19/25/01/1050192501.db2.gz BDISGDHAEHBPCB-DIFFPNOSSA-N 0 1 323.795 4.051 20 10 DICDMN CCc1noc(CC)c1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000166942754 1050225784 /nfs/dbraw/zinc/22/57/84/1050225784.db2.gz UAWYLXGHPKZDLY-CQSZACIVSA-N 0 1 315.461 4.106 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000824702540 1050234427 /nfs/dbraw/zinc/23/44/27/1050234427.db2.gz NEIQYFXXQFRFEI-ZWNOBZJWSA-N 0 1 319.367 4.001 20 10 DICDMN C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000824716761 1050236540 /nfs/dbraw/zinc/23/65/40/1050236540.db2.gz ZYJJULYAEFDYKV-MWLCHTKSSA-N 0 1 307.743 4.208 20 10 DICDMN CCn1ccnc1[C@H](C)NCc1cc(-c2ccccc2)ccc1O ZINC000825006050 1050262895 /nfs/dbraw/zinc/26/28/95/1050262895.db2.gz XJJFKCYLLAXDMS-HNNXBMFYSA-N 0 1 321.424 4.126 20 10 DICDMN CCOc1ccc(O)c(CN2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000825104052 1050270274 /nfs/dbraw/zinc/27/02/74/1050270274.db2.gz LLNGHIRABPYSCW-GOSISDBHSA-N 0 1 313.397 4.111 20 10 DICDMN CCOc1ccc(CN2CC3(CCC3)[C@@H]2c2ccco2)c(O)c1 ZINC000825104348 1050271114 /nfs/dbraw/zinc/27/11/14/1050271114.db2.gz USAGDRNPSYJYTC-SFHVURJKSA-N 0 1 313.397 4.111 20 10 DICDMN CCOCc1ccccc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825089698 1050276897 /nfs/dbraw/zinc/27/68/97/1050276897.db2.gz IFGWZLKINHTIMC-UHFFFAOYSA-N 0 1 319.832 4.180 20 10 DICDMN Cc1cc(O)c(CNC2(c3nccs3)CCCC2)cc1Cl ZINC000825283374 1050290526 /nfs/dbraw/zinc/29/05/26/1050290526.db2.gz KVRWDDMBEQVGBD-UHFFFAOYSA-N 0 1 322.861 4.370 20 10 DICDMN COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825353922 1050298184 /nfs/dbraw/zinc/29/81/84/1050298184.db2.gz PURBCKABRGTTRT-INIZCTEOSA-N 0 1 317.816 4.140 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cccc(F)c2F)cc1Cl ZINC000825375192 1050301696 /nfs/dbraw/zinc/30/16/96/1050301696.db2.gz JJKDAFUBOWYKRY-SNVBAGLBSA-N 0 1 311.759 4.483 20 10 DICDMN Cc1ccc(C(F)(F)F)c(CN2CCc3cccc(O)c3C2)c1 ZINC001143680596 1050335135 /nfs/dbraw/zinc/33/51/35/1050335135.db2.gz FGDWYTFQVNSKSM-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1F ZINC000844395302 1050410155 /nfs/dbraw/zinc/41/01/55/1050410155.db2.gz GRUNVMPIDGQICJ-KRWDZBQOSA-N 0 1 319.351 4.114 20 10 DICDMN C[N@@H+](Cc1cc(Br)c(F)cc1[O-])C1CCCCC1 ZINC001144298522 1050534162 /nfs/dbraw/zinc/53/41/62/1050534162.db2.gz FLVFGCTYNJOVOG-UHFFFAOYSA-N 0 1 316.214 4.058 20 10 DICDMN CCOc1c(Cl)cccc1CN(C)Cc1ccccc1O ZINC000787112739 1050551792 /nfs/dbraw/zinc/55/17/92/1050551792.db2.gz RSZCIKMIJAUGIA-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN [O-]c1ccc(F)cc1C[NH2+]C12CCC(C(F)(F)F)(CC1)CC2 ZINC000787298012 1050583150 /nfs/dbraw/zinc/58/31/50/1050583150.db2.gz BTAYHAHYXMWSTE-UHFFFAOYSA-N 0 1 317.326 4.276 20 10 DICDMN CC[C@@H](c1ccncc1)[N@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000739888394 1050590058 /nfs/dbraw/zinc/59/00/58/1050590058.db2.gz TXWRLYDAEBNKHM-IBGZPJMESA-N 0 1 321.424 4.309 20 10 DICDMN CC[C@@H](c1ccncc1)[N@@H+](CC)Cc1c([O-])ccc2ccncc21 ZINC000739888394 1050590071 /nfs/dbraw/zinc/59/00/71/1050590071.db2.gz TXWRLYDAEBNKHM-IBGZPJMESA-N 0 1 321.424 4.309 20 10 DICDMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([O-])ccc3ccccc32)C1(C)C ZINC000740863662 1050634511 /nfs/dbraw/zinc/63/45/11/1050634511.db2.gz WCNFQKDMUTWCCJ-RTBURBONSA-N 0 1 313.441 4.181 20 10 DICDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1(C)C ZINC000740863662 1050634520 /nfs/dbraw/zinc/63/45/20/1050634520.db2.gz WCNFQKDMUTWCCJ-RTBURBONSA-N 0 1 313.441 4.181 20 10 DICDMN C[C@]1(CC[NH2+]Cc2ccc3ccccc3c2[O-])C[C@]1(F)Cl ZINC000846031580 1050650377 /nfs/dbraw/zinc/65/03/77/1050650377.db2.gz ASJFTTWVPNNFSG-DLBZAZTESA-N 0 1 307.796 4.340 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000846055845 1050660333 /nfs/dbraw/zinc/66/03/33/1050660333.db2.gz QDOCDTQZOPLCDT-SUMWQHHRSA-N 0 1 316.832 4.257 20 10 DICDMN CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000788262814 1050662946 /nfs/dbraw/zinc/66/29/46/1050662946.db2.gz PSYCNRMHQYMZPC-AWEZNQCLSA-N 0 1 301.430 4.137 20 10 DICDMN C[C@@H](NCc1cc(-c2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000772951765 1050752723 /nfs/dbraw/zinc/75/27/23/1050752723.db2.gz YORFSRMPVRSMFB-OAHLLOKOSA-N 0 1 321.424 4.258 20 10 DICDMN CCc1cccc(Cl)c1CNCc1ccc2c(c1)CCO2 ZINC000788960565 1050768121 /nfs/dbraw/zinc/76/81/21/1050768121.db2.gz RGZOPPJRRVXCOZ-UHFFFAOYSA-N 0 1 301.817 4.127 20 10 DICDMN CCOC1CC(CC[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])C1 ZINC000788983189 1050770616 /nfs/dbraw/zinc/77/06/16/1050770616.db2.gz CBSLOKYGPDZMNG-PXCJXSSVSA-N 0 1 311.853 4.292 20 10 DICDMN COc1c2ccccc2oc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000788981496 1050777601 /nfs/dbraw/zinc/77/76/01/1050777601.db2.gz RFQVYJIQLJSVBV-AWEZNQCLSA-N 0 1 324.424 4.358 20 10 DICDMN Oc1cc2c(cc1CN1CC[C@H]1c1ccc(Cl)cc1)CCC2 ZINC000742173901 1050807092 /nfs/dbraw/zinc/80/70/92/1050807092.db2.gz MNLWINXMZWJJBA-SFHVURJKSA-N 0 1 313.828 4.481 20 10 DICDMN CCN(CC)c1ccc(CNCc2c(C)cccc2F)cc1F ZINC000742381145 1050825858 /nfs/dbraw/zinc/82/58/58/1050825858.db2.gz YTVUXWOOJLQREU-UHFFFAOYSA-N 0 1 318.411 4.409 20 10 DICDMN Cc1ccccc1C1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000742384999 1050826617 /nfs/dbraw/zinc/82/66/17/1050826617.db2.gz PGUQVDPSDKDVMH-UHFFFAOYSA-N 0 1 301.817 4.390 20 10 DICDMN COc1cccc(F)c1[C@@H](C)NCc1ccc(N(C)C)c(C)c1 ZINC000772994893 1050977746 /nfs/dbraw/zinc/97/77/46/1050977746.db2.gz CANWTPRCXJBSSV-CQSZACIVSA-N 0 1 316.420 4.060 20 10 DICDMN C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000790703700 1050986171 /nfs/dbraw/zinc/98/61/71/1050986171.db2.gz UEXDOVUORNEBAB-SJCJKPOMSA-N 0 1 311.853 4.028 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000743389374 1051020892 /nfs/dbraw/zinc/02/08/92/1051020892.db2.gz JMAIRABXKCGBRY-GOSISDBHSA-N 0 1 308.356 4.027 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000743389374 1051020903 /nfs/dbraw/zinc/02/09/03/1051020903.db2.gz JMAIRABXKCGBRY-GOSISDBHSA-N 0 1 308.356 4.027 20 10 DICDMN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000743398720 1051022740 /nfs/dbraw/zinc/02/27/40/1051022740.db2.gz JZVBZYPGPFZUIJ-LSDHHAIUSA-N 0 1 316.470 4.046 20 10 DICDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c([O-])ccc3ccncc32)C1 ZINC000743398720 1051022756 /nfs/dbraw/zinc/02/27/56/1051022756.db2.gz JZVBZYPGPFZUIJ-LSDHHAIUSA-N 0 1 316.470 4.046 20 10 DICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(C2CCCC2)CC1 ZINC000743375881 1051023557 /nfs/dbraw/zinc/02/35/57/1051023557.db2.gz AZIGWWLYPOJNHO-UHFFFAOYSA-N 0 1 310.441 4.343 20 10 DICDMN C[C@@H](NCc1cccc(F)n1)c1ccc(N2CCCCC2)cc1 ZINC000773089480 1051057875 /nfs/dbraw/zinc/05/78/75/1051057875.db2.gz QZVRPXJAZKNAMY-OAHLLOKOSA-N 0 1 313.420 4.062 20 10 DICDMN Cc1cc2cc[nH]c2c(NCc2cc3ccccc3cc2O)n1 ZINC001171400279 1051087203 /nfs/dbraw/zinc/08/72/03/1051087203.db2.gz RJGZZPSDFZLYKU-UHFFFAOYSA-N 0 1 303.365 4.342 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1OC ZINC000036995182 1051106014 /nfs/dbraw/zinc/10/60/14/1051106014.db2.gz RJHMTBYHDZUELJ-OAHLLOKOSA-N 0 1 305.805 4.295 20 10 DICDMN O=[N+]([O-])c1ccccc1NCc1cc(Cl)cc(Cl)c1O ZINC000037058992 1051109995 /nfs/dbraw/zinc/10/99/95/1051109995.db2.gz QDZNMPCJXICZLC-UHFFFAOYSA-N 0 1 313.140 4.219 20 10 DICDMN Cc1ccnc(CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000792197848 1051126012 /nfs/dbraw/zinc/12/60/12/1051126012.db2.gz AAFHECZWDPWPFI-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN C[C@@]12CC[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]1C2(Cl)Cl ZINC000793618624 1051328948 /nfs/dbraw/zinc/32/89/48/1051328948.db2.gz WAEGYQASPHISFW-QWHCGFSZSA-N 0 1 320.647 4.061 20 10 DICDMN C[C@@]12CC[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]1C2(Cl)Cl ZINC000793618624 1051328959 /nfs/dbraw/zinc/32/89/59/1051328959.db2.gz WAEGYQASPHISFW-QWHCGFSZSA-N 0 1 320.647 4.061 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172713915 1051496856 /nfs/dbraw/zinc/49/68/56/1051496856.db2.gz RSBPHRXNGLZLRJ-IBGZPJMESA-N 0 1 323.823 4.456 20 10 DICDMN CCCCN1CCC([NH2+][C@H](CC)c2cccc(Cl)c2[O-])CC1 ZINC000806134949 1051735154 /nfs/dbraw/zinc/73/51/54/1051735154.db2.gz DPGKUODWAJOHRU-QGZVFWFLSA-N 0 1 324.896 4.351 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806135034 1051735860 /nfs/dbraw/zinc/73/58/60/1051735860.db2.gz FFFHEGDSWHGFGD-QMTHXVAHSA-N 0 1 319.276 4.080 20 10 DICDMN CC(C)[C@H](C)[N@@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000768137677 1051887916 /nfs/dbraw/zinc/88/79/16/1051887916.db2.gz MAVQCCPNBMESGV-NSHDSACASA-N 0 1 312.251 4.164 20 10 DICDMN CCOc1ccc(C[N@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000768162352 1051892142 /nfs/dbraw/zinc/89/21/42/1051892142.db2.gz CHUAOBMCEOIPPP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CCOc1ccc(C[N@@H+](C)Cc2c([O-])cccc2Cl)cc1 ZINC000768162352 1051892150 /nfs/dbraw/zinc/89/21/50/1051892150.db2.gz CHUAOBMCEOIPPP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CCOc1ccc(CN(C)Cc2c(O)cccc2Cl)cc1 ZINC000768162352 1051892163 /nfs/dbraw/zinc/89/21/63/1051892163.db2.gz CHUAOBMCEOIPPP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN [O-]c1c(Br)cccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000768252771 1051909032 /nfs/dbraw/zinc/90/90/32/1051909032.db2.gz PBSRPUGVMRPWEP-UHFFFAOYSA-N 0 1 310.235 4.062 20 10 DICDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)ccc1[O-] ZINC000768334708 1051917661 /nfs/dbraw/zinc/91/76/61/1051917661.db2.gz PBMJPDDEROIGKU-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)ccc1[O-] ZINC000768334708 1051917674 /nfs/dbraw/zinc/91/76/74/1051917674.db2.gz PBMJPDDEROIGKU-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN C[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 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CC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc(Cl)c1[O-] ZINC001231912926 1053916541 /nfs/dbraw/zinc/91/65/41/1053916541.db2.gz DTZIKJQYBZBHQB-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN Oc1cccc2c1CN(Cc1ccc3ccnc(Cl)c3c1)CC2 ZINC001231977628 1053925642 /nfs/dbraw/zinc/92/56/42/1053925642.db2.gz BXHYGFQUSXUPBZ-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN C[N@H+](Cc1cc(Cl)c(O)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001232261726 1054007932 /nfs/dbraw/zinc/00/79/32/1054007932.db2.gz NEJFECMLNAFLCJ-UHFFFAOYSA-N 0 1 321.848 4.152 20 10 DICDMN C[N@@H+](Cc1cc(Cl)c(O)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001232261726 1054007940 /nfs/dbraw/zinc/00/79/40/1054007940.db2.gz NEJFECMLNAFLCJ-UHFFFAOYSA-N 0 1 321.848 4.152 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232270066 1054009868 /nfs/dbraw/zinc/00/98/68/1054009868.db2.gz RRSNSLQENKZHTL-OLZOCXBDSA-N 0 1 309.837 4.066 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232270066 1054009876 /nfs/dbraw/zinc/00/98/76/1054009876.db2.gz 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1054043098 /nfs/dbraw/zinc/04/30/98/1054043098.db2.gz XCTIDGRCHVCKBI-LBPRGKRZSA-N 0 1 304.459 4.305 20 10 DICDMN CC[N@@H+](Cc1cccc(F)c1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237949419 1054096809 /nfs/dbraw/zinc/09/68/09/1054096809.db2.gz LLBOLOVZFPNGLM-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC[N@@H+](Cc1ccccc1F)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950321 1054101281 /nfs/dbraw/zinc/10/12/81/1054101281.db2.gz RFYZZQVLHXYZIJ-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(Cl)c1C ZINC001232756173 1054115611 /nfs/dbraw/zinc/11/56/11/1054115611.db2.gz ZHOVETGHJJFYKS-UHFFFAOYSA-N 0 1 317.864 4.132 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)Cc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000848564050 1054151009 /nfs/dbraw/zinc/15/10/09/1054151009.db2.gz AMLAVLMWJZPGAB-MLGOLLRUSA-N 0 1 304.821 4.113 20 10 DICDMN CC[C@H]([NH2+][C@H](C)Cc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000848564051 1054151846 /nfs/dbraw/zinc/15/18/46/1054151846.db2.gz AMLAVLMWJZPGAB-WBMJQRKESA-N 0 1 304.821 4.113 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000848567714 1054154595 /nfs/dbraw/zinc/15/45/95/1054154595.db2.gz LVJBROIMZAAOBN-MNOVXSKESA-N 0 1 301.352 4.396 20 10 DICDMN CC[C@@H](NCc1noc2ccccc12)c1ccc(N(C)C)cc1 ZINC000848573129 1054156267 /nfs/dbraw/zinc/15/62/67/1054156267.db2.gz QSFBKAYRAQIRNK-QGZVFWFLSA-N 0 1 309.413 4.135 20 10 DICDMN C[N@@H+](Cc1ccc2ccccc2c1)Cc1ccc(F)c(F)c1[O-] ZINC001233078737 1054182687 /nfs/dbraw/zinc/18/26/87/1054182687.db2.gz HYRVUDQPURNAQU-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccc(F)c1F ZINC001233080095 1054183534 /nfs/dbraw/zinc/18/35/34/1054183534.db2.gz POGDSVXFWBLAGK-OAHLLOKOSA-N 0 1 321.342 4.017 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233078193 1054184047 /nfs/dbraw/zinc/18/40/47/1054184047.db2.gz LENYZPACFBZYNJ-MRXNPFEDSA-N 0 1 319.351 4.016 20 10 DICDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001233077386 1054184219 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[O-]c1c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)ccc2ccccc21 ZINC000848925104 1054301483 /nfs/dbraw/zinc/30/14/83/1054301483.db2.gz NNHNVGBTGOKPDP-GOSISDBHSA-N 0 1 311.425 4.079 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)ccc2ccccc21 ZINC000848925104 1054301499 /nfs/dbraw/zinc/30/14/99/1054301499.db2.gz NNHNVGBTGOKPDP-GOSISDBHSA-N 0 1 311.425 4.079 20 10 DICDMN C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727166 1054345940 /nfs/dbraw/zinc/34/59/40/1054345940.db2.gz JNLNWSYSVBTVQI-QWRGUYRKSA-N 0 1 303.324 4.054 20 10 DICDMN C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cc(Cl)cc(F)c1[O-] ZINC001341777008 1054408774 /nfs/dbraw/zinc/40/87/74/1054408774.db2.gz VTFSKNUJNBNFCO-UHFFFAOYSA-N 0 1 318.779 4.298 20 10 DICDMN c1cc(N2CCCC2)ccc1CNc1cc2c(cn1)CCCC2 ZINC001343620248 1054450238 /nfs/dbraw/zinc/45/02/38/1054450238.db2.gz XPUYGRHAUARLHG-UHFFFAOYSA-N 0 1 307.441 4.173 20 10 DICDMN Nc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC001345159770 1054489838 /nfs/dbraw/zinc/48/98/38/1054489838.db2.gz KWKXTGHCCXUYKB-HNNXBMFYSA-N 0 1 312.310 4.191 20 10 DICDMN Cc1ccc(O)c([C@@H](C)NCc2cc(-c3ccccc3)on2)c1 ZINC000185301909 1054511711 /nfs/dbraw/zinc/51/17/11/1054511711.db2.gz JNFUMMDMRDSNRT-CQSZACIVSA-N 0 1 308.381 4.206 20 10 DICDMN C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185454119 1054548893 /nfs/dbraw/zinc/54/88/93/1054548893.db2.gz OFVWZVBMHARBBF-VFNWGFHPSA-N 0 1 321.420 4.104 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000185566490 1054582725 /nfs/dbraw/zinc/58/27/25/1054582725.db2.gz PRZLERJAZMZMCO-STQMWFEESA-N 0 1 303.377 4.260 20 10 DICDMN CO[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234997464 1054640129 /nfs/dbraw/zinc/64/01/29/1054640129.db2.gz ZSXOWNZDRGXAJS-SFHVURJKSA-N 0 1 311.425 4.060 20 10 DICDMN CO[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234997464 1054640133 /nfs/dbraw/zinc/64/01/33/1054640133.db2.gz ZSXOWNZDRGXAJS-SFHVURJKSA-N 0 1 311.425 4.060 20 10 DICDMN CC(C)(C)c1ccc(CN2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001235676066 1054769641 /nfs/dbraw/zinc/76/96/41/1054769641.db2.gz PICRLYWDRBIZHZ-HNNXBMFYSA-N 0 1 315.379 4.259 20 10 DICDMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474360429 1054805216 /nfs/dbraw/zinc/80/52/16/1054805216.db2.gz PDNGUBNBKULWNJ-QWRGUYRKSA-N 0 1 317.857 4.291 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236189584 1054987897 /nfs/dbraw/zinc/98/78/97/1054987897.db2.gz AXWMTNFIIZYOCX-SFHVURJKSA-N 0 1 310.372 4.350 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236189580 1054988648 /nfs/dbraw/zinc/98/86/48/1054988648.db2.gz AXWMTNFIIZYOCX-GOSISDBHSA-N 0 1 310.372 4.350 20 10 DICDMN Nc1ccc(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC001236336448 1055064497 /nfs/dbraw/zinc/06/44/97/1055064497.db2.gz PKLXLEDVGUJNDD-UHFFFAOYSA-N 0 1 316.832 4.007 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1 ZINC001236666609 1055220555 /nfs/dbraw/zinc/22/05/55/1055220555.db2.gz RYKQTEUTPUAJIX-PWSUYJOCSA-N 0 1 312.251 4.084 20 10 DICDMN COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236797261 1055263374 /nfs/dbraw/zinc/26/33/74/1055263374.db2.gz XAJHQRBNPNAFGP-GFCCVEGCSA-N 0 1 318.244 4.090 20 10 DICDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001236795569 1055264253 /nfs/dbraw/zinc/26/42/53/1055264253.db2.gz GTWDQIDSWOOTNM-LLVKDONJSA-N 0 1 323.223 4.084 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236804026 1055268130 /nfs/dbraw/zinc/26/81/30/1055268130.db2.gz RYPUNQRWQJYCHA-MLGOLLRUSA-N 0 1 309.837 4.209 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236804026 1055268150 /nfs/dbraw/zinc/26/81/50/1055268150.db2.gz RYPUNQRWQJYCHA-MLGOLLRUSA-N 0 1 309.837 4.209 20 10 DICDMN COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)c([O-])c1Cl ZINC001236800726 1055268995 /nfs/dbraw/zinc/26/89/95/1055268995.db2.gz FBKGBXVXBFVQRA-GFCCVEGCSA-N 0 1 317.816 4.174 20 10 DICDMN COc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1Cl ZINC001236809227 1055270453 /nfs/dbraw/zinc/27/04/53/1055270453.db2.gz KIVUVRWTOKTOBS-OCCSQVGLSA-N 0 1 309.837 4.209 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2Cc3ccccc3C[C@H]2C)c(Cl)c1 ZINC001236809130 1055270644 /nfs/dbraw/zinc/27/06/44/1055270644.db2.gz SULIUYLKPOEJMY-GFCCVEGCSA-N 0 1 317.816 4.001 20 10 DICDMN COc1cc([O-])c(C[N@H+]2Cc3ccccc3C[C@H]2C)c(Cl)c1 ZINC001236809130 1055270654 /nfs/dbraw/zinc/27/06/54/1055270654.db2.gz SULIUYLKPOEJMY-GFCCVEGCSA-N 0 1 317.816 4.001 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001236808905 1055273125 /nfs/dbraw/zinc/27/31/25/1055273125.db2.gz RPLDIAVNHCSGPU-CHWSQXEVSA-N 0 1 309.837 4.066 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001236808905 1055273135 /nfs/dbraw/zinc/27/31/35/1055273135.db2.gz RPLDIAVNHCSGPU-CHWSQXEVSA-N 0 1 309.837 4.066 20 10 DICDMN Oc1cc2ccccc2cc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001236826415 1055281641 /nfs/dbraw/zinc/28/16/41/1055281641.db2.gz JCFWPZILJIUHRI-MRXNPFEDSA-N 0 1 309.331 4.115 20 10 DICDMN Oc1cccc2c1CN(Cc1nc3ccccc3cc1Cl)CC2 ZINC001236877227 1055303940 /nfs/dbraw/zinc/30/39/40/1055303940.db2.gz NJWFIELFLSDIGJ-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055502 1055355689 /nfs/dbraw/zinc/35/56/89/1055355689.db2.gz NNHDXULHKUGBCC-LBPRGKRZSA-N 0 1 317.351 4.098 20 10 DICDMN C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055502 1055355701 /nfs/dbraw/zinc/35/57/01/1055355701.db2.gz NNHDXULHKUGBCC-LBPRGKRZSA-N 0 1 317.351 4.098 20 10 DICDMN C[C@@]1(F)CCCCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237137878 1055378612 /nfs/dbraw/zinc/37/86/12/1055378612.db2.gz QGGXGKLRJYYUAT-CQSZACIVSA-N 0 1 305.315 4.125 20 10 DICDMN CC1(C)C[N@H+](Cc2c([O-])ccc(F)c2Cl)CCC1(F)F ZINC001237125435 1055380408 /nfs/dbraw/zinc/38/04/08/1055380408.db2.gz ZRQCNZZGQGYTSX-UHFFFAOYSA-N 0 1 307.743 4.052 20 10 DICDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(F)c2Cl)CCC1(F)F ZINC001237125435 1055380420 /nfs/dbraw/zinc/38/04/20/1055380420.db2.gz ZRQCNZZGQGYTSX-UHFFFAOYSA-N 0 1 307.743 4.052 20 10 DICDMN C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000386213623 1055435396 /nfs/dbraw/zinc/43/53/96/1055435396.db2.gz UIGLGKWTAAOFOZ-AUUYWEPGSA-N 0 1 313.441 4.137 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSc2ccccc2C1 ZINC001237623665 1055487831 /nfs/dbraw/zinc/48/78/31/1055487831.db2.gz SHVHKWXVSBNKMZ-UHFFFAOYSA-N 0 1 323.820 4.293 20 10 DICDMN CC[C@@H](NCc1c(C)c2ccccc2n1C)c1c(C)noc1C ZINC001620866157 1055494276 /nfs/dbraw/zinc/49/42/76/1055494276.db2.gz FGZKSCBGBBWRNM-MRXNPFEDSA-N 0 1 311.429 4.332 20 10 DICDMN CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(Cl)cc(C)c1O ZINC001237684919 1055504315 /nfs/dbraw/zinc/50/43/15/1055504315.db2.gz CLPYNXCEIUNWHW-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2ccccc2n1 ZINC000765607356 1055509885 /nfs/dbraw/zinc/50/98/85/1055509885.db2.gz BYZVXCINFLEVKV-AWEZNQCLSA-N 0 1 304.393 4.021 20 10 DICDMN Cc1cccc(CC[N@H+](C)Cc2cc(F)cc(Cl)c2[O-])c1 ZINC001237798271 1055534856 /nfs/dbraw/zinc/53/48/56/1055534856.db2.gz CTYNDQCDQKNDDW-UHFFFAOYSA-N 0 1 307.796 4.168 20 10 DICDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001237798509 1055535061 /nfs/dbraw/zinc/53/50/61/1055535061.db2.gz HFOISMHYFZWCMM-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001237937601 1055559620 /nfs/dbraw/zinc/55/96/20/1055559620.db2.gz RRSHXMFDDPVRGO-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237934593 1055561813 /nfs/dbraw/zinc/56/18/13/1055561813.db2.gz LKZXOFAZEIQKSJ-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950422 1055564140 /nfs/dbraw/zinc/56/41/40/1055564140.db2.gz SXOKDZUIWUEHTO-LLVKDONJSA-N 0 1 323.795 4.386 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001621023687 1055988878 /nfs/dbraw/zinc/98/88/78/1055988878.db2.gz VJPGLTIWRPYLCR-HNNXBMFYSA-N 0 1 308.208 4.476 20 10 DICDMN CN(CCSc1ncc(Cl)s1)Cc1ccc(F)cc1 ZINC001614767354 1056451231 /nfs/dbraw/zinc/45/12/31/1056451231.db2.gz BFXYSVAYOIWGKJ-UHFFFAOYSA-N 0 1 316.854 4.160 20 10 DICDMN CCN(C)c1ccc(CN2CCc3cc(F)cc(C)c3C2)cc1 ZINC001617491768 1056841564 /nfs/dbraw/zinc/84/15/64/1056841564.db2.gz HXGUGFSUIBGMOZ-UHFFFAOYSA-N 0 1 312.432 4.149 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168703668 1056883851 /nfs/dbraw/zinc/88/38/51/1056883851.db2.gz JBUUHBAAZJVVAD-QGZVFWFLSA-N 0 1 323.823 4.456 20 10 DICDMN CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(C2CC2)no1 ZINC000282336687 1056933064 /nfs/dbraw/zinc/93/30/64/1056933064.db2.gz BKYYQOYJTAIMFH-ZDUSSCGKSA-N 0 1 315.417 4.016 20 10 DICDMN COc1ccc(F)cc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000766030625 1057131476 /nfs/dbraw/zinc/13/14/76/1057131476.db2.gz VEGYBLBRRZAWDI-CQSZACIVSA-N 0 1 316.420 4.060 20 10 DICDMN COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCCC1 ZINC000186883975 1057143689 /nfs/dbraw/zinc/14/36/89/1057143689.db2.gz ONYCFZRUCUVWDF-CQSZACIVSA-N 0 1 309.425 4.169 20 10 DICDMN CCc1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)on1 ZINC000766137519 1057374361 /nfs/dbraw/zinc/37/43/61/1057374361.db2.gz ZRVPPCDJJMKDLM-OAHLLOKOSA-N 0 1 313.445 4.078 20 10 DICDMN Cc1ccccc1[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706809769 1057481808 /nfs/dbraw/zinc/48/18/08/1057481808.db2.gz MKFUAHIOBBQZKI-GFCCVEGCSA-N 0 1 320.230 4.314 20 10 DICDMN C[C@@H](C[N@H+](C)Cc1c([O-])ccc2ccncc21)c1ccccc1 ZINC000727427283 1057654016 /nfs/dbraw/zinc/65/40/16/1057654016.db2.gz GGLHMUDREYFRSR-HNNXBMFYSA-N 0 1 306.409 4.176 20 10 DICDMN C[C@@H](C[N@@H+](C)Cc1c([O-])ccc2ccncc21)c1ccccc1 ZINC000727427283 1057654018 /nfs/dbraw/zinc/65/40/18/1057654018.db2.gz GGLHMUDREYFRSR-HNNXBMFYSA-N 0 1 306.409 4.176 20 10 DICDMN Cc1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)on1 ZINC000733197954 1057805060 /nfs/dbraw/zinc/80/50/60/1057805060.db2.gz FNOPPFMWMFAMLV-UHFFFAOYSA-N 0 1 300.402 4.024 20 10 DICDMN COc1ccc(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000733328683 1057813519 /nfs/dbraw/zinc/81/35/19/1057813519.db2.gz ZXBJHTWQWNNRSG-UHFFFAOYSA-N 0 1 319.832 4.122 20 10 DICDMN Cc1ccccc1C1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000733327852 1057813725 /nfs/dbraw/zinc/81/37/25/1057813725.db2.gz YHSIMUGSZROTRA-UHFFFAOYSA-N 0 1 301.817 4.175 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1cc(O)ccc1Cl ZINC001559570172 1059402046 /nfs/dbraw/zinc/40/20/46/1059402046.db2.gz NSHAXXSCCSJFSG-UHFFFAOYSA-N 0 1 305.805 4.163 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c1[O-] ZINC001559775340 1059612854 /nfs/dbraw/zinc/61/28/54/1059612854.db2.gz JSLKWZXBGQPQQI-ZBEGNZNMSA-N 0 1 307.409 4.038 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1Cl ZINC001248881508 1060029767 /nfs/dbraw/zinc/02/97/67/1060029767.db2.gz YFBVJXUJDBLXGD-GOSISDBHSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@]3(CCCO3)C2)cc1Cl ZINC001248881508 1060029789 /nfs/dbraw/zinc/02/97/89/1060029789.db2.gz YFBVJXUJDBLXGD-GOSISDBHSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc(O)c(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC001248881507 1060031307 /nfs/dbraw/zinc/03/13/07/1060031307.db2.gz YEIWXAQNNYVTLU-BETUJISGSA-N 0 1 321.848 4.039 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC001248881507 1060031324 /nfs/dbraw/zinc/03/13/24/1060031324.db2.gz YEIWXAQNNYVTLU-BETUJISGSA-N 0 1 321.848 4.039 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC001248881507 1060031349 /nfs/dbraw/zinc/03/13/49/1060031349.db2.gz YEIWXAQNNYVTLU-BETUJISGSA-N 0 1 321.848 4.039 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001248885453 1060041263 /nfs/dbraw/zinc/04/12/63/1060041263.db2.gz XHWKPZFYXXEXHW-WBIUFABUSA-N 0 1 311.828 4.275 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001248885453 1060041281 /nfs/dbraw/zinc/04/12/81/1060041281.db2.gz XHWKPZFYXXEXHW-WBIUFABUSA-N 0 1 311.828 4.275 20 10 DICDMN CCN(Cc1ccccc1O)Cc1cc(C)c(C)nc1Cl ZINC001249029845 1060119955 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/nfs/dbraw/zinc/07/12/99/1066071299.db2.gz CKHYIKJFBYVRQI-CZUORRHYSA-N 0 1 317.379 4.296 20 10 DICDMN CCSCC[C@@H](C)[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001308578247 1066093852 /nfs/dbraw/zinc/09/38/52/1066093852.db2.gz NYNNUKVRYCQASY-GFCCVEGCSA-N 0 1 301.883 4.318 20 10 DICDMN CCSCC[C@@H](C)[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001308578247 1066093863 /nfs/dbraw/zinc/09/38/63/1066093863.db2.gz NYNNUKVRYCQASY-GFCCVEGCSA-N 0 1 301.883 4.318 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1Cl ZINC001308595276 1066107407 /nfs/dbraw/zinc/10/74/07/1066107407.db2.gz QUZXYEYCTOLGRV-QGZVFWFLSA-N 0 1 317.816 4.397 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1Cl ZINC001308595276 1066107410 /nfs/dbraw/zinc/10/74/10/1066107410.db2.gz QUZXYEYCTOLGRV-QGZVFWFLSA-N 0 1 317.816 4.397 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001308597141 1066108462 /nfs/dbraw/zinc/10/84/62/1066108462.db2.gz ONULDVRHOWAXNU-MRXNPFEDSA-N 0 1 315.844 4.419 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001308597141 1066108465 /nfs/dbraw/zinc/10/84/65/1066108465.db2.gz ONULDVRHOWAXNU-MRXNPFEDSA-N 0 1 315.844 4.419 20 10 DICDMN CCc1cccc(CN2CCc3ccc(Cl)cc3C2)c1O ZINC001308621497 1066123549 /nfs/dbraw/zinc/12/35/49/1066123549.db2.gz NAICFXZGLHBZEI-UHFFFAOYSA-N 0 1 301.817 4.166 20 10 DICDMN [O-]c1c(C[N@H+](Cc2ccccc2)CC2CCC2)ccc(F)c1F ZINC001308632520 1066127867 /nfs/dbraw/zinc/12/78/67/1066127867.db2.gz POUKJRLOKNKACE-UHFFFAOYSA-N 0 1 317.379 4.473 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1c([O-])ccc(Cl)c1F ZINC001308661581 1066142081 /nfs/dbraw/zinc/14/20/81/1066142081.db2.gz BDCPUHHNNGEQBF-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC001308715983 1066194961 /nfs/dbraw/zinc/19/49/61/1066194961.db2.gz RPFHHCYBKQBVCI-BTTYYORXSA-N 0 1 311.853 4.037 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cc(Cl)c(F)cc1[O-] ZINC001308739020 1066214238 /nfs/dbraw/zinc/21/42/38/1066214238.db2.gz FYXFXVUSDWWVPY-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC001308754653 1066227844 /nfs/dbraw/zinc/22/78/44/1066227844.db2.gz BNYOASDHBIRDFF-UHFFFAOYSA-N 0 1 317.791 4.474 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC001308781079 1066254629 /nfs/dbraw/zinc/25/46/29/1066254629.db2.gz YYDXATFHVUGMDU-GFCCVEGCSA-N 0 1 305.830 4.025 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c(Cl)c1 ZINC001308906840 1066386560 /nfs/dbraw/zinc/38/65/60/1066386560.db2.gz SICLRGQXNIZADA-OAHLLOKOSA-N 0 1 323.864 4.278 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c(Cl)c1 ZINC001308906840 1066386575 /nfs/dbraw/zinc/38/65/75/1066386575.db2.gz SICLRGQXNIZADA-OAHLLOKOSA-N 0 1 323.864 4.278 20 10 DICDMN CCc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001308987659 1066433128 /nfs/dbraw/zinc/43/31/28/1066433128.db2.gz KGWXXGXBFBTHCP-UHFFFAOYSA-N 0 1 301.817 4.166 20 10 DICDMN CCc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001308987659 1066433131 /nfs/dbraw/zinc/43/31/31/1066433131.db2.gz KGWXXGXBFBTHCP-UHFFFAOYSA-N 0 1 301.817 4.166 20 10 DICDMN CCc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001308987659 1066433132 /nfs/dbraw/zinc/43/31/32/1066433132.db2.gz KGWXXGXBFBTHCP-UHFFFAOYSA-N 0 1 301.817 4.166 20 10 DICDMN CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(F)c2[O-])s1 ZINC000272297402 130017900 /nfs/dbraw/zinc/01/79/00/130017900.db2.gz PAWNBENOXORLSC-LLVKDONJSA-N 0 1 308.422 4.052 20 10 DICDMN COc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000273393948 130115776 /nfs/dbraw/zinc/11/57/76/130115776.db2.gz LMDNVFFNTQMFHS-VXGBXAGGSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1csc(C2(N[C@H](C)c3cc(C)ccc3O)CCC2)n1 ZINC000273542898 130135740 /nfs/dbraw/zinc/13/57/40/130135740.db2.gz YQYKNKAUOVRCLM-CYBMUJFWSA-N 0 1 302.443 4.196 20 10 DICDMN COc1ccc(O)c([C@@H](C)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000192791309 336261994 /nfs/dbraw/zinc/26/19/94/336261994.db2.gz UGYPITVEXSZTAB-VLIAUNLRSA-N 0 1 323.392 4.434 20 10 DICDMN C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccccc1O ZINC000183634207 337193867 /nfs/dbraw/zinc/19/38/67/337193867.db2.gz LQUGNEGHXWYURB-VLIAUNLRSA-N 0 1 322.383 4.367 20 10 DICDMN C[C@H](N[C@@H](C)c1ncccc1F)c1cc2c(cc1O)CCCC2 ZINC000528036224 337782616 /nfs/dbraw/zinc/78/26/16/337782616.db2.gz PLDMZNLWFXWVKO-STQMWFEESA-N 0 1 314.404 4.217 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccs2)c1[O-] ZINC000182549410 518278746 /nfs/dbraw/zinc/27/87/46/518278746.db2.gz NRFZNUDPRKRUIW-VIFPVBQESA-N 0 1 309.818 4.161 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2cncc(F)c2)cc1F ZINC000158713885 520911300 /nfs/dbraw/zinc/91/13/00/520911300.db2.gz LIGXDSHOJVOMEE-ZDUSSCGKSA-N 0 1 319.399 4.057 20 10 DICDMN CC[C@@H](NCc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000182121447 522873702 /nfs/dbraw/zinc/87/37/02/522873702.db2.gz ZBDVNHKAPYGOMH-QGZVFWFLSA-N 0 1 303.837 4.042 20 10 DICDMN CC[C@](C)(NCc1ccc(N(C)C)c(F)c1)c1nc(C)cs1 ZINC000266142320 523488635 /nfs/dbraw/zinc/48/86/35/523488635.db2.gz HORWTZPLTFMIKG-KRWDZBQOSA-N 0 1 321.465 4.072 20 10 DICDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccccn1 ZINC000159067547 525525323 /nfs/dbraw/zinc/52/53/23/525525323.db2.gz UEHFLYPQVQYJFM-QGZVFWFLSA-N 0 1 309.457 4.169 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000157634909 525646384 /nfs/dbraw/zinc/64/63/84/525646384.db2.gz ZWVVJKVWGMBIFS-NRXGSXMXSA-N 0 1 311.425 4.154 20 10 DICDMN Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])cs1 ZINC000189937722 527082571 /nfs/dbraw/zinc/08/25/71/527082571.db2.gz KRFPXXRDEDCRLK-CQSZACIVSA-N 0 1 308.834 4.148 20 10 DICDMN Cc1nc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cs1 ZINC000189937722 527082579 /nfs/dbraw/zinc/08/25/79/527082579.db2.gz KRFPXXRDEDCRLK-CQSZACIVSA-N 0 1 308.834 4.148 20 10 DICDMN COCC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccc(C)o1 ZINC000273442529 536809539 /nfs/dbraw/zinc/80/95/39/536809539.db2.gz NBSUJYWBZDEFOD-IUODEOHRSA-N 0 1 323.820 4.375 20 10 DICDMN COc1ccc([C@@H](C)[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000083551567 1036895886 /nfs/dbraw/zinc/89/58/86/1036895886.db2.gz NZRTYNNSJXXSFD-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN C[C@H]1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706833836 1037481018 /nfs/dbraw/zinc/48/10/18/1037481018.db2.gz JUXMGXHDJTXPCB-RYUDHWBXSA-N 0 1 312.251 4.071 20 10 DICDMN CC[N@H+](Cc1c([O-])cccc1Br)C1CCCCC1 ZINC000707137396 1037816616 /nfs/dbraw/zinc/81/66/16/1037816616.db2.gz ZITOYDVZJGAKLF-UHFFFAOYSA-N 0 1 312.251 4.309 20 10 DICDMN CC[N@@H+](Cc1c([O-])cccc1Br)C1CCCCC1 ZINC000707137396 1037816626 /nfs/dbraw/zinc/81/66/26/1037816626.db2.gz ZITOYDVZJGAKLF-UHFFFAOYSA-N 0 1 312.251 4.309 20 10 DICDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000707165592 1037873484 /nfs/dbraw/zinc/87/34/84/1037873484.db2.gz IUAVZCMWJMYBEV-QWHCGFSZSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000707165592 1037873501 /nfs/dbraw/zinc/87/35/01/1037873501.db2.gz IUAVZCMWJMYBEV-QWHCGFSZSA-N 0 1 324.262 4.167 20 10 DICDMN CCN(Cc1ccc(Cl)cc1O)Cc1cccc(F)c1F ZINC001140464428 1038121768 /nfs/dbraw/zinc/12/17/68/1038121768.db2.gz PMFDWYPXOPJWCU-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])Cc1cccc(F)c1F ZINC001140464428 1038121780 /nfs/dbraw/zinc/12/17/80/1038121780.db2.gz PMFDWYPXOPJWCU-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])Cc1cccc(F)c1F ZINC001140464428 1038121788 /nfs/dbraw/zinc/12/17/88/1038121788.db2.gz PMFDWYPXOPJWCU-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC(C)CCOC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000121616784 1038256633 /nfs/dbraw/zinc/25/66/33/1038256633.db2.gz RRATWWLRNAVVJB-UHFFFAOYSA-N 0 1 311.853 4.073 20 10 DICDMN CCC[N@@H+](Cc1cnc(C(C)C)s1)Cc1ccccc1O ZINC000092704956 1038286198 /nfs/dbraw/zinc/28/61/98/1038286198.db2.gz RXKMQJRSZVJIGA-UHFFFAOYSA-N 0 1 304.459 4.384 20 10 DICDMN CCCN(Cc1cc(-c2ccco2)on1)Cc1ccccc1O ZINC000171668233 1038464547 /nfs/dbraw/zinc/46/45/47/1038464547.db2.gz IUCJJXZPSBZYED-UHFFFAOYSA-N 0 1 312.369 4.052 20 10 DICDMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000277247814 1038467296 /nfs/dbraw/zinc/46/72/96/1038467296.db2.gz NTJZHQPWPNHFAG-BPNCWPANSA-N 0 1 316.449 4.052 20 10 DICDMN C[C@H]([NH2+]CCSC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000230659037 1038621517 /nfs/dbraw/zinc/62/15/17/1038621517.db2.gz MPRIIOUDZNZTFT-JTQLQIEISA-N 0 1 315.360 4.449 20 10 DICDMN CC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050151502 1038750243 /nfs/dbraw/zinc/75/02/43/1038750243.db2.gz VDQAEWFDTAMOKJ-UHFFFAOYSA-N 0 1 323.845 4.332 20 10 DICDMN CC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050151502 1038750237 /nfs/dbraw/zinc/75/02/37/1038750237.db2.gz VDQAEWFDTAMOKJ-UHFFFAOYSA-N 0 1 323.845 4.332 20 10 DICDMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132218 1038955645 /nfs/dbraw/zinc/95/56/45/1038955645.db2.gz CDDZLFMIDQEVJP-NSHDSACASA-N 0 1 318.642 4.183 20 10 DICDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708133091 1038953896 /nfs/dbraw/zinc/95/38/96/1038953896.db2.gz HGDIEKSDXWHTKK-VIFPVBQESA-N 0 1 318.642 4.040 20 10 DICDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708135062 1038957150 /nfs/dbraw/zinc/95/71/50/1038957150.db2.gz VNGUQKVXPSSCJO-MRVPVSSYSA-N 0 1 306.631 4.038 20 10 DICDMN CCC[C@@H](NCc1ccc(N(C)C)cc1)c1ncccc1Cl ZINC000924572870 1040889233 /nfs/dbraw/zinc/88/92/33/1040889233.db2.gz FYVWOPQNMUPOEG-QGZVFWFLSA-N 0 1 317.864 4.432 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1[O-] ZINC000808700283 1041008022 /nfs/dbraw/zinc/00/80/22/1041008022.db2.gz KAAROGOCTDCMMR-KBPBESRZSA-N 0 1 313.869 4.049 20 10 DICDMN CCN(Cc1ccncc1)Cc1ccc(N(CC)CC)c(F)c1 ZINC000809727098 1041224537 /nfs/dbraw/zinc/22/45/37/1041224537.db2.gz RVHOHJWMYOOCBV-UHFFFAOYSA-N 0 1 315.436 4.089 20 10 DICDMN CC[C@@H]([NH2+]Cc1cncc(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229225 1041343210 /nfs/dbraw/zinc/34/32/10/1041343210.db2.gz UWBVBUHJQRPMTF-OAHLLOKOSA-N 0 1 324.346 4.355 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228550 1041344029 /nfs/dbraw/zinc/34/40/29/1041344029.db2.gz IFDCXOCDBANMPF-QKCSRTOESA-N 0 1 317.351 4.019 20 10 DICDMN CC[C@H]([NH2+]CCCOC(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208723 1041347163 /nfs/dbraw/zinc/34/71/63/1041347163.db2.gz WTIBTZFQWWHEIK-AWEZNQCLSA-N 0 1 319.367 4.267 20 10 DICDMN CCOC(C)(C)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238307 1041353084 /nfs/dbraw/zinc/35/30/84/1041353084.db2.gz JAYDENDOODZDFY-CYBMUJFWSA-N 0 1 319.367 4.267 20 10 DICDMN CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236885 1041353293 /nfs/dbraw/zinc/35/32/93/1041353293.db2.gz BFVKLCHDXVJCGO-GWCFXTLKSA-N 0 1 319.392 4.205 20 10 DICDMN CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239969 1041353845 /nfs/dbraw/zinc/35/38/45/1041353845.db2.gz LAUVQUHCHBMAKO-DCAQKATOSA-N 0 1 309.278 4.105 20 10 DICDMN CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239057 1041354210 /nfs/dbraw/zinc/35/42/10/1041354210.db2.gz RCRYCBXDVUMROT-OCCSQVGLSA-N 0 1 315.335 4.144 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241775 1041355616 /nfs/dbraw/zinc/35/56/16/1041355616.db2.gz YOJJHAVATBJBAV-JIMOISOXSA-N 0 1 319.392 4.203 20 10 DICDMN CCCN(Cc1ccn(C(CC)CC)n1)Cc1ccccc1O ZINC000747619554 1041414872 /nfs/dbraw/zinc/41/48/72/1041414872.db2.gz NMYMYBRQSNDWBW-UHFFFAOYSA-N 0 1 315.461 4.362 20 10 DICDMN [O-]c1ccc2ccncc2c1C[NH2+]C1(c2ccccc2)CCC1 ZINC000728706827 1041460611 /nfs/dbraw/zinc/46/06/11/1041460611.db2.gz GHRFEOHFSQPBPZ-UHFFFAOYSA-N 0 1 304.393 4.109 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c1[O-] ZINC000182945072 1041575740 /nfs/dbraw/zinc/57/57/40/1041575740.db2.gz PKSFOPGLGWUIOF-ZDUSSCGKSA-N 0 1 315.388 4.202 20 10 DICDMN CC[C@H](N[C@H](C)c1nc(C)cs1)c1ccc(N(C)C)cc1 ZINC000162360154 1041644156 /nfs/dbraw/zinc/64/41/56/1041644156.db2.gz SMSXEUOTKICTIG-CJNGLKHVSA-N 0 1 303.475 4.319 20 10 DICDMN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000312496535 1041675068 /nfs/dbraw/zinc/67/50/68/1041675068.db2.gz JTCAAZAWFGWTIX-GFCCVEGCSA-N 0 1 307.743 4.208 20 10 DICDMN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000312496535 1041675074 /nfs/dbraw/zinc/67/50/74/1041675074.db2.gz JTCAAZAWFGWTIX-GFCCVEGCSA-N 0 1 307.743 4.208 20 10 DICDMN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000312496535 1041675078 /nfs/dbraw/zinc/67/50/78/1041675078.db2.gz JTCAAZAWFGWTIX-GFCCVEGCSA-N 0 1 307.743 4.208 20 10 DICDMN [O-]c1ccc(Br)cc1C[NH+](C1CCC1)C1CCC1 ZINC000814177522 1041780401 /nfs/dbraw/zinc/78/04/01/1041780401.db2.gz FSMSNUMJCBDUGN-UHFFFAOYSA-N 0 1 310.235 4.062 20 10 DICDMN CSc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000756664723 1041852639 /nfs/dbraw/zinc/85/26/39/1041852639.db2.gz PGBOFXHYBMOSNI-SNVBAGLBSA-N 0 1 308.834 4.013 20 10 DICDMN Cc1csc([C@@H](NCc2ccc(N(C)C)c(C)c2)C2CC2)n1 ZINC000815083999 1041912644 /nfs/dbraw/zinc/91/26/44/1041912644.db2.gz MJRGTQQGFIJCGF-KRWDZBQOSA-N 0 1 315.486 4.067 20 10 DICDMN CC[C@@H]([NH2+]CCC1(COC)CCC1)c1cc(Cl)ccc1[O-] ZINC000815643278 1041982607 /nfs/dbraw/zinc/98/26/07/1041982607.db2.gz YHPSIJGMWGSOCZ-OAHLLOKOSA-N 0 1 311.853 4.293 20 10 DICDMN COc1ccccc1C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816480971 1042056446 /nfs/dbraw/zinc/05/64/46/1042056446.db2.gz CXHSORSYBZTJJI-UHFFFAOYSA-N 0 1 307.393 4.186 20 10 DICDMN COc1ccccc1C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816480971 1042056449 /nfs/dbraw/zinc/05/64/49/1042056449.db2.gz CXHSORSYBZTJJI-UHFFFAOYSA-N 0 1 307.393 4.186 20 10 DICDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1Cc2ccccc2C1 ZINC000816495752 1042057363 /nfs/dbraw/zinc/05/73/63/1042057363.db2.gz ILJQHBXVNDSEDI-UHFFFAOYSA-N 0 1 303.405 4.145 20 10 DICDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1Cc2ccccc2C1 ZINC000816495752 1042057366 /nfs/dbraw/zinc/05/73/66/1042057366.db2.gz ILJQHBXVNDSEDI-UHFFFAOYSA-N 0 1 303.405 4.145 20 10 DICDMN Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2[O-])on1 ZINC000816492767 1042058403 /nfs/dbraw/zinc/05/84/03/1042058403.db2.gz BPXACLAMAPUUST-KRWDZBQOSA-N 0 1 308.381 4.179 20 10 DICDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3c2[O-])on1 ZINC000816492767 1042058409 /nfs/dbraw/zinc/05/84/09/1042058409.db2.gz BPXACLAMAPUUST-KRWDZBQOSA-N 0 1 308.381 4.179 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816512718 1042061617 /nfs/dbraw/zinc/06/16/17/1042061617.db2.gz RPFAMPKIAKCMRU-MRXNPFEDSA-N 0 1 320.795 4.225 20 10 DICDMN [O-]c1c(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc2ccccc21 ZINC000816515083 1042061797 /nfs/dbraw/zinc/06/17/97/1042061797.db2.gz OXBFPRDRTPFNFF-UHFFFAOYSA-N 0 1 307.315 4.240 20 10 DICDMN [O-]c1c(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc2ccccc21 ZINC000816515083 1042061800 /nfs/dbraw/zinc/06/18/00/1042061800.db2.gz OXBFPRDRTPFNFF-UHFFFAOYSA-N 0 1 307.315 4.240 20 10 DICDMN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549288 1042064366 /nfs/dbraw/zinc/06/43/66/1042064366.db2.gz JKLOLJIFIANBLI-UHFFFAOYSA-N 0 1 320.436 4.210 20 10 DICDMN Oc1c(CNCc2ccn(C3CCCC3)n2)ccc2ccccc21 ZINC000816557672 1042067721 /nfs/dbraw/zinc/06/77/21/1042067721.db2.gz XRLNIZZUTBKOAE-UHFFFAOYSA-N 0 1 321.424 4.147 20 10 DICDMN C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559174 1042068046 /nfs/dbraw/zinc/06/80/46/1042068046.db2.gz ALAWLMFLVDSMPU-YWZLYKJASA-N 0 1 321.420 4.147 20 10 DICDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569816 1042069260 /nfs/dbraw/zinc/06/92/60/1042069260.db2.gz XQQDUDUJVRSJTP-BDJLRTHQSA-N 0 1 320.795 4.163 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816594975 1042070812 /nfs/dbraw/zinc/07/08/12/1042070812.db2.gz VBIBDROTVYFHEQ-IAQYHMDHSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594975 1042070816 /nfs/dbraw/zinc/07/08/16/1042070816.db2.gz VBIBDROTVYFHEQ-IAQYHMDHSA-N 0 1 309.331 4.318 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816594975 1042070821 /nfs/dbraw/zinc/07/08/21/1042070821.db2.gz VBIBDROTVYFHEQ-IAQYHMDHSA-N 0 1 309.331 4.318 20 10 DICDMN Cc1cc(Cl)nc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816599461 1042071338 /nfs/dbraw/zinc/07/13/38/1042071338.db2.gz NSXFJVLUATUFPN-UHFFFAOYSA-N 0 1 312.800 4.192 20 10 DICDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCC(F)(F)CC1 ZINC000816612245 1042072689 /nfs/dbraw/zinc/07/26/89/1042072689.db2.gz KETIGKRKINZMQH-UHFFFAOYSA-N 0 1 307.743 4.194 20 10 DICDMN [O-]c1c(C[NH+]2CCC(c3cccnc3)CC2)ccc2ccccc21 ZINC000816610212 1042072828 /nfs/dbraw/zinc/07/28/28/1042072828.db2.gz BUXRLYSDOQZLCK-UHFFFAOYSA-N 0 1 318.420 4.320 20 10 DICDMN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc2ccccc21 ZINC000816616162 1042072842 /nfs/dbraw/zinc/07/28/42/1042072842.db2.gz PPXSSQPJLSBYPT-ICSRJNTNSA-N 0 1 323.436 4.079 20 10 DICDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc2ccccc21 ZINC000816616162 1042072846 /nfs/dbraw/zinc/07/28/46/1042072846.db2.gz PPXSSQPJLSBYPT-ICSRJNTNSA-N 0 1 323.436 4.079 20 10 DICDMN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608789 1042073775 /nfs/dbraw/zinc/07/37/75/1042073775.db2.gz JOOGWWKMFIIWLZ-YJBOKZPZSA-N 0 1 313.441 4.061 20 10 DICDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608789 1042073776 /nfs/dbraw/zinc/07/37/76/1042073776.db2.gz JOOGWWKMFIIWLZ-YJBOKZPZSA-N 0 1 313.441 4.061 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817366780 1042106382 /nfs/dbraw/zinc/10/63/82/1042106382.db2.gz ZFFSKTCJUCZECM-LBPRGKRZSA-N 0 1 324.346 4.105 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817366780 1042106385 /nfs/dbraw/zinc/10/63/85/1042106385.db2.gz ZFFSKTCJUCZECM-LBPRGKRZSA-N 0 1 324.346 4.105 20 10 DICDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccncc1Cl ZINC000817576897 1042115887 /nfs/dbraw/zinc/11/58/87/1042115887.db2.gz ZVFSOVRZMSWUEO-CQSZACIVSA-N 0 1 315.848 4.186 20 10 DICDMN Cc1cc(NCc2cc(Cl)cc(Cl)c2O)nn1C(C)C ZINC000817710051 1042123059 /nfs/dbraw/zinc/12/30/59/1042123059.db2.gz GCNPCHHDUCDHCQ-UHFFFAOYSA-N 0 1 314.216 4.397 20 10 DICDMN CC(C)(C)c1csc(CNCc2cc(Cl)ccc2O)n1 ZINC000105498301 1042175708 /nfs/dbraw/zinc/17/57/08/1042175708.db2.gz CYFVQOLVILAPGE-UHFFFAOYSA-N 0 1 310.850 4.089 20 10 DICDMN COc1cc(C)cc(CN[C@@H](C)c2c(F)cccc2Cl)c1O ZINC000894323223 1042845135 /nfs/dbraw/zinc/84/51/35/1042845135.db2.gz LELWCNRLSKDYNU-NSHDSACASA-N 0 1 323.795 4.353 20 10 DICDMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(C)cc1O ZINC000794818646 1043063849 /nfs/dbraw/zinc/06/38/49/1043063849.db2.gz RZBSUMUJCPZDSW-GOSISDBHSA-N 0 1 316.420 4.465 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865832638 1043138626 /nfs/dbraw/zinc/13/86/26/1043138626.db2.gz VDBDYDDKMOEBIT-VXGBXAGGSA-N 0 1 305.727 4.032 20 10 DICDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000183678485 1043168275 /nfs/dbraw/zinc/16/82/75/1043168275.db2.gz LYWYNVJCUZJTIH-JTQLQIEISA-N 0 1 311.212 4.287 20 10 DICDMN COCc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000184941732 1043192355 /nfs/dbraw/zinc/19/23/55/1043192355.db2.gz WOWAVYKYMFHJKJ-GFCCVEGCSA-N 0 1 305.805 4.043 20 10 DICDMN C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2c1[O-] ZINC000185534618 1043202423 /nfs/dbraw/zinc/20/24/23/1043202423.db2.gz OZOCHSPZXRTBGP-DMBMUNPASA-N 0 1 311.425 4.010 20 10 DICDMN C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000866451519 1043202992 /nfs/dbraw/zinc/20/29/92/1043202992.db2.gz UVHOSGWWOSSOIW-LRVUVFPRSA-N 0 1 309.425 4.308 20 10 DICDMN C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cc(F)ccc1[O-] ZINC000866451517 1043203275 /nfs/dbraw/zinc/20/32/75/1043203275.db2.gz UVHOSGWWOSSOIW-GRTSSRMGSA-N 0 1 309.425 4.308 20 10 DICDMN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186157455 1043217037 /nfs/dbraw/zinc/21/70/37/1043217037.db2.gz MCSSMXWAFLTKMO-NXEZZACHSA-N 0 1 308.809 4.105 20 10 DICDMN Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000866540474 1043220581 /nfs/dbraw/zinc/22/05/81/1043220581.db2.gz OWEPFGXEWANKCN-LLVKDONJSA-N 0 1 320.776 4.113 20 10 DICDMN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000186561682 1043228861 /nfs/dbraw/zinc/22/88/61/1043228861.db2.gz ZHUHQUQXBURPBK-KOLCDFICSA-N 0 1 310.850 4.265 20 10 DICDMN Cc1csc([C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000186561716 1043229674 /nfs/dbraw/zinc/22/96/74/1043229674.db2.gz ZHUHQUQXBURPBK-MWLCHTKSSA-N 0 1 310.850 4.265 20 10 DICDMN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc2ccccc2c1[O-] ZINC000121991240 1043270411 /nfs/dbraw/zinc/27/04/11/1043270411.db2.gz IVVKIAVJRFWVMX-UGSOOPFHSA-N 0 1 301.455 4.482 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc(F)cc(F)c1 ZINC000122450271 1043305574 /nfs/dbraw/zinc/30/55/74/1043305574.db2.gz ZDXKISXNRQVAEA-LLVKDONJSA-N 0 1 308.347 4.021 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(F)ccc1F ZINC000122671847 1043320210 /nfs/dbraw/zinc/32/02/10/1043320210.db2.gz DGCUAZRVXABUFZ-CYBMUJFWSA-N 0 1 304.384 4.190 20 10 DICDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cccnc1Cl ZINC000268811136 1043333912 /nfs/dbraw/zinc/33/39/12/1043333912.db2.gz KSFYQOGOAPTVGS-CQSZACIVSA-N 0 1 315.848 4.186 20 10 DICDMN CCCOc1ccc(CNCc2cnc(Cl)s2)cc1C ZINC000895150720 1043349456 /nfs/dbraw/zinc/34/94/56/1043349456.db2.gz BQDPMOCPLUCTKI-UHFFFAOYSA-N 0 1 310.850 4.184 20 10 DICDMN C[C@H](NCc1ccco1)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550977 1043597357 /nfs/dbraw/zinc/59/73/57/1043597357.db2.gz NRAMWDUZZFTLKC-AWEZNQCLSA-N 0 1 302.393 4.260 20 10 DICDMN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc2ccccc2c1[O-] ZINC000320191387 1043608728 /nfs/dbraw/zinc/60/87/28/1043608728.db2.gz GHJGRJUKWQSPDN-CQSZACIVSA-N 0 1 307.393 4.144 20 10 DICDMN Cc1ccccc1C(C)(C)NCc1cc(F)c(N(C)C)cc1F ZINC001202544925 1043689280 /nfs/dbraw/zinc/68/92/80/1043689280.db2.gz BYMSTNFINUMHIY-UHFFFAOYSA-N 0 1 318.411 4.364 20 10 DICDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(N(C)C)cc1 ZINC000777702783 1043766445 /nfs/dbraw/zinc/76/64/45/1043766445.db2.gz TWDUXEQXLZGZQX-AWEZNQCLSA-N 0 1 315.436 4.126 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000826023736 1043846053 /nfs/dbraw/zinc/84/60/53/1043846053.db2.gz DWCVINRJNCXNBS-NSHDSACASA-N 0 1 320.776 4.113 20 10 DICDMN CC(C)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000778094839 1044135758 /nfs/dbraw/zinc/13/57/58/1044135758.db2.gz QSUDJTCGSXGBTM-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccc(Cl)cn2)cc1 ZINC000778213122 1044222635 /nfs/dbraw/zinc/22/26/35/1044222635.db2.gz PVAXWRZDHHAYNY-UHFFFAOYSA-N 0 1 317.864 4.213 20 10 DICDMN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000778213122 1044222623 /nfs/dbraw/zinc/22/26/23/1044222623.db2.gz PVAXWRZDHHAYNY-UHFFFAOYSA-N 0 1 317.864 4.213 20 10 DICDMN C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792709 1044256612 /nfs/dbraw/zinc/25/66/12/1044256612.db2.gz IOJMYMNCOWWDDZ-ONGXEEELSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792709 1044256623 /nfs/dbraw/zinc/25/66/23/1044256623.db2.gz IOJMYMNCOWWDDZ-ONGXEEELSA-N 0 1 307.743 4.208 20 10 DICDMN Cc1ccc([C@@H](C)NCc2nsc3ccccc23)c(O)c1C ZINC000883403056 1044306549 /nfs/dbraw/zinc/30/65/49/1044306549.db2.gz JCGUQALTEZWNHT-CYBMUJFWSA-N 0 1 312.438 4.470 20 10 DICDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1c1ccncc1 ZINC000294049149 1044370838 /nfs/dbraw/zinc/37/08/38/1044370838.db2.gz WYDQIFKHLFXLJR-MRXNPFEDSA-N 0 1 302.805 4.024 20 10 DICDMN CO[C@H](C)c1nc(CN[C@@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000294821903 1044464166 /nfs/dbraw/zinc/46/41/66/1044464166.db2.gz QMLXQFOOVVAMBZ-QWHCGFSZSA-N 0 1 320.458 4.024 20 10 DICDMN CCOc1c(Cl)cccc1CNCc1ccc(N(C)C)cc1 ZINC000785412102 1044530451 /nfs/dbraw/zinc/53/04/51/1044530451.db2.gz BFXYQSIMUNMUHB-UHFFFAOYSA-N 0 1 318.848 4.095 20 10 DICDMN Fc1ccc(C2(NCc3ccc4c(c3)CCO4)CCC2)c(F)c1 ZINC000136135599 1044586052 /nfs/dbraw/zinc/58/60/52/1044586052.db2.gz ANGMVNBYKWVXPU-UHFFFAOYSA-N 0 1 315.363 4.069 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ncc(Cl)s1 ZINC000719442285 1044609862 /nfs/dbraw/zinc/60/98/62/1044609862.db2.gz SHECLDQYSDRBBR-NXEZZACHSA-N 0 1 308.834 4.149 20 10 DICDMN CC[C@@H](NCc1cc(-c2ccccc2)on1)c1ccccc1O ZINC000155557611 1044705044 /nfs/dbraw/zinc/70/50/44/1044705044.db2.gz QWTPJFXNTKXMSC-QGZVFWFLSA-N 0 1 308.381 4.288 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000152401620 1045041570 /nfs/dbraw/zinc/04/15/70/1045041570.db2.gz OWOHQNNOIFVZAW-DLBZAZTESA-N 0 1 309.457 4.484 20 10 DICDMN CCN(CC)c1ccc(CN[C@@](C)(CC)c2nccs2)cc1 ZINC000152638738 1045044681 /nfs/dbraw/zinc/04/46/81/1045044681.db2.gz TUAKHXLVBQJQOG-SFHVURJKSA-N 0 1 317.502 4.404 20 10 DICDMN Oc1ccc(F)cc1CN(Cc1ccco1)Cc1ccccc1 ZINC000778995215 1045111544 /nfs/dbraw/zinc/11/15/44/1045111544.db2.gz OKXXEMINXVBCQA-UHFFFAOYSA-N 0 1 311.356 4.327 20 10 DICDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1cc2c(cc1O)CCCC2 ZINC000528036223 1045295593 /nfs/dbraw/zinc/29/55/93/1045295593.db2.gz PLDMZNLWFXWVKO-OLZOCXBDSA-N 0 1 314.404 4.217 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2cccs2)C2CC2)c1[O-] ZINC000779196765 1045367974 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C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000802308901 1045951007 /nfs/dbraw/zinc/95/10/07/1045951007.db2.gz KPOMXRWSKWYYQZ-CRWXNKLISA-N 0 1 311.853 4.290 20 10 DICDMN C[C@@]1(c2ccccc2)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755932121 1046030235 /nfs/dbraw/zinc/03/02/35/1046030235.db2.gz RCDVFAKTQMCZHF-OAQYLSRUSA-N 0 1 318.420 4.104 20 10 DICDMN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755932121 1046030250 /nfs/dbraw/zinc/03/02/50/1046030250.db2.gz RCDVFAKTQMCZHF-OAQYLSRUSA-N 0 1 318.420 4.104 20 10 DICDMN CN(C)c1ccc(CN(C)Cc2cccc(Cl)c2F)cc1 ZINC001137963423 1046036053 /nfs/dbraw/zinc/03/60/53/1046036053.db2.gz IQBVAJUGOICGCF-UHFFFAOYSA-N 0 1 306.812 4.177 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc(O)c2ccccc12 ZINC001138062421 1046079981 /nfs/dbraw/zinc/07/99/81/1046079981.db2.gz LRPDIAPLJAHZKP-UHFFFAOYSA-N 0 1 307.393 4.273 20 10 DICDMN Cc1csc([C@H](C)N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756533272 1046095727 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DICDMN CC(C)n1ccc(CN[C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000756596010 1046105796 /nfs/dbraw/zinc/10/57/96/1046105796.db2.gz XMKVVRJFWQLUGG-AWEZNQCLSA-N 0 1 309.413 4.174 20 10 DICDMN CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756605082 1046107763 /nfs/dbraw/zinc/10/77/63/1046107763.db2.gz QHQGSUAJYWOZCI-MGPUTAFESA-N 0 1 315.457 4.383 20 10 DICDMN CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756605084 1046108398 /nfs/dbraw/zinc/10/83/98/1046108398.db2.gz QHQGSUAJYWOZCI-YWZLYKJASA-N 0 1 315.457 4.383 20 10 DICDMN CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756605083 1046108823 /nfs/dbraw/zinc/10/88/23/1046108823.db2.gz QHQGSUAJYWOZCI-QRWLVFNGSA-N 0 1 315.457 4.383 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1c(C)nn(C)c1C ZINC000756615694 1046110883 /nfs/dbraw/zinc/11/08/83/1046110883.db2.gz FUJQULOSFWLQDZ-BONVTDFDSA-N 0 1 321.852 4.198 20 10 DICDMN CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000756627125 1046112901 /nfs/dbraw/zinc/11/29/01/1046112901.db2.gz QTDLBGISAOKOCW-SUMWQHHRSA-N 0 1 301.430 4.257 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc2ccccc2c1[O-] ZINC000756632989 1046114586 /nfs/dbraw/zinc/11/45/86/1046114586.db2.gz GJSQJJXJNLMZQC-LSDHHAIUSA-N 0 1 306.409 4.222 20 10 DICDMN COc1ccc(C)cc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756672837 1046120367 /nfs/dbraw/zinc/12/03/67/1046120367.db2.gz UHHKUYGQLRMQCS-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN COc1ccccc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC001138218919 1046120468 /nfs/dbraw/zinc/12/04/68/1046120468.db2.gz YFPFZMSXGLGNED-UHFFFAOYSA-N 0 1 324.468 4.318 20 10 DICDMN COc1ccccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC001138218919 1046120473 /nfs/dbraw/zinc/12/04/73/1046120473.db2.gz YFPFZMSXGLGNED-UHFFFAOYSA-N 0 1 324.468 4.318 20 10 DICDMN C[C@]1(F)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215883 1046120603 /nfs/dbraw/zinc/12/06/03/1046120603.db2.gz ZWVXAQGNTLPLBQ-IBGZPJMESA-N 0 1 304.453 4.391 20 10 DICDMN c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC001138219932 1046120830 /nfs/dbraw/zinc/12/08/30/1046120830.db2.gz TWFJGWLMRLZNMP-UHFFFAOYSA-N 0 1 322.452 4.072 20 10 DICDMN c1ccc2c(c1)CN(Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC001138219932 1046120835 /nfs/dbraw/zinc/12/08/35/1046120835.db2.gz TWFJGWLMRLZNMP-UHFFFAOYSA-N 0 1 322.452 4.072 20 10 DICDMN CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756737622 1046125667 /nfs/dbraw/zinc/12/56/67/1046125667.db2.gz WPYDPHRRXGMPMP-DCGLDWPTSA-N 0 1 311.853 4.147 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000756757218 1046125770 /nfs/dbraw/zinc/12/57/70/1046125770.db2.gz MHUGQYYRXFIDCU-IVMMDQJWSA-N 0 1 321.436 4.265 20 10 DICDMN CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756737624 1046126502 /nfs/dbraw/zinc/12/65/02/1046126502.db2.gz WPYDPHRRXGMPMP-OGHNNQOOSA-N 0 1 311.853 4.147 20 10 DICDMN Cc1ccc([C@H](C)NCc2ccn(C3CCCC3)n2)c(O)c1C ZINC000756761601 1046128141 /nfs/dbraw/zinc/12/81/41/1046128141.db2.gz UHIBTJQHJRLUOH-HNNXBMFYSA-N 0 1 313.445 4.171 20 10 DICDMN Cc1c(CN(C)Cc2ccc(F)cc2F)c2ccccc2n1C ZINC001138257869 1046131570 /nfs/dbraw/zinc/13/15/70/1046131570.db2.gz AYHXPFPVDLQKDR-UHFFFAOYSA-N 0 1 314.379 4.397 20 10 DICDMN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000756778767 1046131602 /nfs/dbraw/zinc/13/16/02/1046131602.db2.gz PLHFLPFLQIPMLD-DETPVDSQSA-N 0 1 311.853 4.290 20 10 DICDMN CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756786133 1046133611 /nfs/dbraw/zinc/13/36/11/1046133611.db2.gz JPPBUZRHKOVJIG-VXGBXAGGSA-N 0 1 304.821 4.415 20 10 DICDMN CSC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCC1 ZINC000193804020 1046136055 /nfs/dbraw/zinc/13/60/55/1046136055.db2.gz NSWOSUKYXSBIGS-ZDUSSCGKSA-N 0 1 301.455 4.482 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127426152 1046149203 /nfs/dbraw/zinc/14/92/03/1046149203.db2.gz SUSOMCQUTPOZSE-CQSZACIVSA-N 0 1 311.212 4.364 20 10 DICDMN COCC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccco1 ZINC000757640276 1046195751 /nfs/dbraw/zinc/19/57/51/1046195751.db2.gz XEOSNPDDMKSZOM-FZMZJTMJSA-N 0 1 309.793 4.067 20 10 DICDMN CCN(CC)c1ccc(CN(C)[C@@H](C)c2cccnc2)cc1F ZINC000757890728 1046222997 /nfs/dbraw/zinc/22/29/97/1046222997.db2.gz JAQAOSFRXXUJMO-HNNXBMFYSA-N 0 1 315.436 4.260 20 10 DICDMN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccncc2)cc1F ZINC000757883343 1046224102 /nfs/dbraw/zinc/22/41/02/1046224102.db2.gz ZXEGVTZWGFBVOU-HNNXBMFYSA-N 0 1 315.436 4.260 20 10 DICDMN C[C@@H](N[C@H](c1ncccn1)C1CC1)c1ccc2ccccc2c1O ZINC000903324250 1046239243 /nfs/dbraw/zinc/23/92/43/1046239243.db2.gz CXPHWCBHNFCEKD-ACJLOTCBSA-N 0 1 319.408 4.137 20 10 DICDMN Cc1ncccc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000903415122 1046271683 /nfs/dbraw/zinc/27/16/83/1046271683.db2.gz HNGBYDJFBDSDOQ-HNNXBMFYSA-N 0 1 306.409 4.142 20 10 DICDMN CCOc1ccc(Cl)cc1CN(C)Cc1ccccc1O ZINC001139010843 1046354365 /nfs/dbraw/zinc/35/43/65/1046354365.db2.gz GNVVFOZEHSRKAP-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CCN(CC)c1ccc(CN(C)[C@H](C)c2ccccn2)cc1F ZINC000780894094 1046410640 /nfs/dbraw/zinc/41/06/40/1046410640.db2.gz WXFORTWLNFMXAL-OAHLLOKOSA-N 0 1 315.436 4.260 20 10 DICDMN CCC(C)(C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781909442 1046486667 /nfs/dbraw/zinc/48/66/67/1046486667.db2.gz DOGFETOWVHZATC-UHFFFAOYSA-N 0 1 300.240 4.084 20 10 DICDMN CN(Cc1cnc(C2CCCC2)s1)Cc1ccccc1O ZINC000091956617 1046488078 /nfs/dbraw/zinc/48/80/78/1046488078.db2.gz LTFTTWGQYFRQQQ-UHFFFAOYSA-N 0 1 302.443 4.138 20 10 DICDMN Cc1cc(CN(CC(=O)c2ccccc2)C(C)C)ccc1N(C)C ZINC001139673751 1046497804 /nfs/dbraw/zinc/49/78/04/1046497804.db2.gz XWTABOLRYXBREW-UHFFFAOYSA-N 0 1 324.468 4.154 20 10 DICDMN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C(C)(C)Cc1ccccc1 ZINC001139688102 1046498856 /nfs/dbraw/zinc/49/88/56/1046498856.db2.gz ZFXSUCZJACBRMU-UHFFFAOYSA-N 0 1 305.368 4.124 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001139686772 1046499118 /nfs/dbraw/zinc/49/91/18/1046499118.db2.gz FFZLYCPDCBMWAX-UHFFFAOYSA-N 0 1 303.352 4.225 20 10 DICDMN COc1ccc([C@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683047 1046500090 /nfs/dbraw/zinc/50/00/90/1046500090.db2.gz FOUPJCHQUXSGCG-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685708 1046500122 /nfs/dbraw/zinc/50/01/22/1046500122.db2.gz UDEUVIREPYWWHH-UHFFFAOYSA-N 0 1 305.368 4.329 20 10 DICDMN Oc1ccc(F)cc1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001140058714 1046579533 /nfs/dbraw/zinc/57/95/33/1046579533.db2.gz IZMBZTQHCGMWRK-UHFFFAOYSA-N 0 1 314.404 4.261 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000729685531 1046581188 /nfs/dbraw/zinc/58/11/88/1046581188.db2.gz GSTYLHSMRTTXEG-HXUWFJFHSA-N 0 1 324.468 4.373 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834883945 1046698710 /nfs/dbraw/zinc/69/87/10/1046698710.db2.gz VHDGSCYNESNFKI-CHWSQXEVSA-N 0 1 309.837 4.046 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834883950 1046698794 /nfs/dbraw/zinc/69/87/94/1046698794.db2.gz VHDGSCYNESNFKI-QWHCGFSZSA-N 0 1 309.837 4.046 20 10 DICDMN CC[C@H]([NH2+]CCc1ncccc1C)c1cc(Cl)ccc1[O-] ZINC000834886672 1046701255 /nfs/dbraw/zinc/70/12/55/1046701255.db2.gz VNAMVRAOAQAMDS-HNNXBMFYSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cc(Cl)ccc1[O-] ZINC000834902139 1046713658 /nfs/dbraw/zinc/71/36/58/1046713658.db2.gz DUEIYPKGWSEGHI-IAQYHMDHSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908821 1046715830 /nfs/dbraw/zinc/71/58/30/1046715830.db2.gz HMLCIVDTDTYWGY-SWLSCSKDSA-N 0 1 311.853 4.292 20 10 DICDMN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000834905146 1046716899 /nfs/dbraw/zinc/71/68/99/1046716899.db2.gz RHDCEYLQXIWBRD-KGLIPLIRSA-N 0 1 309.413 4.174 20 10 DICDMN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)cc1 ZINC001140464472 1046735116 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Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466358 1046739709 /nfs/dbraw/zinc/73/97/09/1046739709.db2.gz DUTWYRZKFYNNBR-MRXNPFEDSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466358 1046739722 /nfs/dbraw/zinc/73/97/22/1046739722.db2.gz DUTWYRZKFYNNBR-MRXNPFEDSA-N 0 1 317.816 4.007 20 10 DICDMN CCN(C/C=C/c1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000835026717 1046745102 /nfs/dbraw/zinc/74/51/02/1046745102.db2.gz FPJCNZXAJPNPIM-AATRIKPKSA-N 0 1 300.368 4.040 20 10 DICDMN CC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000835039110 1046746385 /nfs/dbraw/zinc/74/63/85/1046746385.db2.gz WNDUZFOBRLAEMI-DKRLNXSXSA-N 0 1 315.486 4.272 20 10 DICDMN CC[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(F)cc1O ZINC000796923029 1046759151 /nfs/dbraw/zinc/75/91/51/1046759151.db2.gz KFEJWFCGHLCLDY-QGZVFWFLSA-N 0 1 320.383 4.295 20 10 DICDMN CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000797115827 1046792883 /nfs/dbraw/zinc/79/28/83/1046792883.db2.gz 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Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)c(Cl)c1 ZINC000840936614 1047360137 /nfs/dbraw/zinc/36/01/37/1047360137.db2.gz MRASLDCJJAURCJ-KGLIPLIRSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000840946024 1047362371 /nfs/dbraw/zinc/36/23/71/1047362371.db2.gz GFIDMEXETUFFOO-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000840946024 1047362383 /nfs/dbraw/zinc/36/23/83/1047362383.db2.gz GFIDMEXETUFFOO-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccncc2)c(Cl)c1 ZINC000840946084 1047363701 /nfs/dbraw/zinc/36/37/01/1047363701.db2.gz HUBRWHIFJDWBMX-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccncc2)c(Cl)c1 ZINC000840946084 1047363710 /nfs/dbraw/zinc/36/37/10/1047363710.db2.gz HUBRWHIFJDWBMX-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000840950478 1047363830 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CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747851 1047449050 /nfs/dbraw/zinc/44/90/50/1047449050.db2.gz FFFZITQXIUBTCV-NEPJUHHUSA-N 0 1 304.821 4.415 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000841750287 1047450222 /nfs/dbraw/zinc/45/02/22/1047450222.db2.gz WEPOQWRZRHZPCZ-XIKOKIGWSA-N 0 1 317.816 4.010 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c(C)c1 ZINC000841753003 1047452004 /nfs/dbraw/zinc/45/20/04/1047452004.db2.gz XAFTYAMMZJIJLJ-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c(C)c1 ZINC000841753005 1047452162 /nfs/dbraw/zinc/45/21/62/1047452162.db2.gz XAFTYAMMZJIJLJ-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)c1c(F)cncc1F ZINC000841757790 1047453462 /nfs/dbraw/zinc/45/34/62/1047453462.db2.gz QEIFDUIUHRVSOK-DTWKUNHWSA-N 0 1 312.747 4.131 20 10 DICDMN COCc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccc1F ZINC000841765558 1047455615 /nfs/dbraw/zinc/45/56/15/1047455615.db2.gz ZQSSUKSLWKJKSO-LLVKDONJSA-N 0 1 323.795 4.182 20 10 DICDMN Cc1cc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2F)cc1Cl ZINC001183492682 1047937206 /nfs/dbraw/zinc/93/72/06/1047937206.db2.gz XXRPENYKGLSSOG-FUHWJXTLSA-N 0 1 319.807 4.469 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1[O-] ZINC000160741010 1047967730 /nfs/dbraw/zinc/96/77/30/1047967730.db2.gz IDFDJGWMVCFGBG-ZDUSSCGKSA-N 0 1 309.837 4.116 20 10 DICDMN Cc1ncccc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203585304 1048020426 /nfs/dbraw/zinc/02/04/26/1048020426.db2.gz GLAGCESSWDPEET-UHFFFAOYSA-N 0 1 311.212 4.034 20 10 DICDMN CCc1onc(C)c1C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000927133338 1048052384 /nfs/dbraw/zinc/05/23/84/1048052384.db2.gz CABWXIWSZKOOTA-CQSZACIVSA-N 0 1 308.809 4.145 20 10 DICDMN CCN(CC)c1ccc(CNCc2ccc(F)c(F)c2F)cc1 ZINC001199403428 1048065717 /nfs/dbraw/zinc/06/57/17/1048065717.db2.gz ULLARZIAAYKCGT-UHFFFAOYSA-N 0 1 322.374 4.240 20 10 DICDMN Cc1cccc(C(C)(C)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC001199875627 1048114175 /nfs/dbraw/zinc/11/41/75/1048114175.db2.gz VOTBPVWSRSKGTI-UHFFFAOYSA-N 0 1 303.833 4.421 20 10 DICDMN Cc1nc2cc(NCc3c(O)cc(C)cc3Cl)ccc2n1C ZINC001201133631 1048197490 /nfs/dbraw/zinc/19/74/90/1048197490.db2.gz QHMPTPRCPDAMHL-UHFFFAOYSA-N 0 1 315.804 4.161 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001203658458 1048391222 /nfs/dbraw/zinc/39/12/22/1048391222.db2.gz WCGMUJDXPBDNKU-KRWDZBQOSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001203658458 1048391231 /nfs/dbraw/zinc/39/12/31/1048391231.db2.gz WCGMUJDXPBDNKU-KRWDZBQOSA-N 0 1 317.816 4.089 20 10 DICDMN Cc1cccc(CN[C@H]2COc3c2ccc(Cl)c3Cl)c1O ZINC000776223893 1048392183 /nfs/dbraw/zinc/39/21/83/1048392183.db2.gz NEFKOYGJJJGGHC-ZDUSSCGKSA-N 0 1 324.207 4.231 20 10 DICDMN CCN(C)c1ccc(CN2CCc3cc(F)ccc3[C@@H]2C)cc1 ZINC001175882724 1048470582 /nfs/dbraw/zinc/47/05/82/1048470582.db2.gz KLMCQDYMEOVTPU-HNNXBMFYSA-N 0 1 312.432 4.401 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2CC(c3ccccc3)C2)c(Cl)c1 ZINC001202150807 1048474688 /nfs/dbraw/zinc/47/46/88/1048474688.db2.gz MUJZBNBUIXIYTI-UHFFFAOYSA-N 0 1 301.817 4.390 20 10 DICDMN COc1ccccc1[C@@H](NCc1ccccc1O)c1ccccc1 ZINC000108421433 1048600594 /nfs/dbraw/zinc/60/05/94/1048600594.db2.gz BQXLYWUGLGVTHZ-NRFANRHFSA-N 0 1 319.404 4.280 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000850481068 1048668801 /nfs/dbraw/zinc/66/88/01/1048668801.db2.gz HEHBPUGJNUEYOD-GDBMZVCRSA-N 0 1 312.457 4.069 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc2ccccc2c1[O-] ZINC000850491886 1048671057 /nfs/dbraw/zinc/67/10/57/1048671057.db2.gz BBCZSSGOKFTYBF-GOEBONIOSA-N 0 1 312.457 4.069 20 10 DICDMN C[C@H](NCc1cc(Cl)ccc1F)c1ccc(N(C)C)cc1 ZINC000775360155 1048702800 /nfs/dbraw/zinc/70/28/00/1048702800.db2.gz AFXLQMBWPZBCJO-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN CN(C)c1ccc(CN(Cc2ccc(F)cc2F)C2CC2)cc1 ZINC001190383994 1048724401 /nfs/dbraw/zinc/72/44/01/1048724401.db2.gz VNMPTDAHEUTTKJ-UHFFFAOYSA-N 0 1 316.395 4.195 20 10 DICDMN CC(C)N(Cc1cc(C2CC2)no1)Cc1ccc(N(C)C)cc1 ZINC000851732889 1048795270 /nfs/dbraw/zinc/79/52/70/1048795270.db2.gz ZMAMSXSKIJKPJH-UHFFFAOYSA-N 0 1 313.445 4.029 20 10 DICDMN CO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CCCCC1 ZINC001203254606 1048852258 /nfs/dbraw/zinc/85/22/58/1048852258.db2.gz HXJGOXDAVKLRFH-QGZVFWFLSA-N 0 1 311.853 4.039 20 10 DICDMN CCc1nc(CN(Cc2ccccc2O)C2CCCC2)cs1 ZINC000111245093 1048901118 /nfs/dbraw/zinc/90/11/18/1048901118.db2.gz KEOSWLDLPYCJLP-UHFFFAOYSA-N 0 1 316.470 4.356 20 10 DICDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])CC1=CCCOC1 ZINC000853561543 1048910897 /nfs/dbraw/zinc/91/08/97/1048910897.db2.gz HYVCJYVOSAHDNI-UHFFFAOYSA-N 0 1 323.392 4.070 20 10 DICDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])CC1=CCCOC1 ZINC000853561543 1048910911 /nfs/dbraw/zinc/91/09/11/1048910911.db2.gz HYVCJYVOSAHDNI-UHFFFAOYSA-N 0 1 323.392 4.070 20 10 DICDMN C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203571257 1048933304 /nfs/dbraw/zinc/93/33/04/1048933304.db2.gz KZFPSEKWBLSCBE-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN COc1cccc(CN2CCC[C@@H]2c2c(F)cccc2F)c1O ZINC001203599613 1048939419 /nfs/dbraw/zinc/93/94/19/1048939419.db2.gz JTWURTBPEFBYDL-OAHLLOKOSA-N 0 1 319.351 4.016 20 10 DICDMN CCOc1cccc(CN(CC)Cc2cccc(F)c2F)c1O ZINC001203615346 1048942133 /nfs/dbraw/zinc/94/21/33/1048942133.db2.gz RZMTXBOVOHYYGG-UHFFFAOYSA-N 0 1 321.367 4.091 20 10 DICDMN CCN(CC)c1ccc(CNCc2ccc(SC)o2)cc1F ZINC001177795698 1048945638 /nfs/dbraw/zinc/94/56/38/1048945638.db2.gz VZKCSXVNWBOOPZ-UHFFFAOYSA-N 0 1 322.449 4.277 20 10 DICDMN COc1ccc(O)c(CN2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001203679041 1048959002 /nfs/dbraw/zinc/95/90/02/1048959002.db2.gz YMZAPQHMFMPGKJ-ZDUSSCGKSA-N 0 1 323.845 4.453 20 10 DICDMN CCCOc1ccc(CNCc2ccc(C)cc2OC)cc1C ZINC001178010130 1048974457 /nfs/dbraw/zinc/97/44/57/1048974457.db2.gz QLXLAAPVOFNFNN-UHFFFAOYSA-N 0 1 313.441 4.391 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775484607 1049002152 /nfs/dbraw/zinc/00/21/52/1049002152.db2.gz GKXWGAJMXJCLPE-MRXNPFEDSA-N 0 1 305.805 4.295 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000775484514 1049002703 /nfs/dbraw/zinc/00/27/03/1049002703.db2.gz DCLOBYCNKUVWSU-KRWDZBQOSA-N 0 1 318.848 4.353 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccc(COC)c1)c1cc(Cl)ccc1[O-] ZINC000775486509 1049006269 /nfs/dbraw/zinc/00/62/69/1049006269.db2.gz CKCVQNVKLKWNPO-QGZVFWFLSA-N 0 1 319.832 4.433 20 10 DICDMN CC[C@H]([NH2+]CCc1csc(C)n1)c1cc(Cl)ccc1[O-] ZINC000775492807 1049020932 /nfs/dbraw/zinc/02/09/32/1049020932.db2.gz SLFXXCIDIZFBKH-AWEZNQCLSA-N 0 1 310.850 4.094 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497850 1049032212 /nfs/dbraw/zinc/03/22/12/1049032212.db2.gz WSMQIGJHHRNTNM-GWCFXTLKSA-N 0 1 319.276 4.080 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001203936208 1049034329 /nfs/dbraw/zinc/03/43/29/1049034329.db2.gz WLSPERMLCBZLQB-HZPDHXFCSA-N 0 1 315.844 4.404 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000775498769 1049038055 /nfs/dbraw/zinc/03/80/55/1049038055.db2.gz NSTDNOYXLAITST-YVEFUNNKSA-N 0 1 319.832 4.423 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000775501573 1049040802 /nfs/dbraw/zinc/04/08/02/1049040802.db2.gz IAOLOMQRLUADNZ-JKSUJKDBSA-N 0 1 317.816 4.479 20 10 DICDMN CCc1cnc(C[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])s1 ZINC000775508001 1049046866 /nfs/dbraw/zinc/04/68/66/1049046866.db2.gz GRCVHWKZKHAJTH-CYBMUJFWSA-N 0 1 310.850 4.305 20 10 DICDMN CCc1cnc(CN[C@H](CC)c2cc(Cl)ccc2O)s1 ZINC000775508001 1049046872 /nfs/dbraw/zinc/04/68/72/1049046872.db2.gz GRCVHWKZKHAJTH-CYBMUJFWSA-N 0 1 310.850 4.305 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000775513534 1049050351 /nfs/dbraw/zinc/05/03/51/1049050351.db2.gz LACQCIHVUZCOFU-DUFGSWQCSA-N 0 1 309.837 4.044 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775511817 1049054480 /nfs/dbraw/zinc/05/44/80/1049054480.db2.gz JYYNVBUCLISZMF-BLLLJJGKSA-N 0 1 304.821 4.285 20 10 DICDMN CC[C@H]([NH2+]CC(CC)(CC)CCO)c1cc(Cl)ccc1[O-] ZINC000775511171 1049055736 /nfs/dbraw/zinc/05/57/36/1049055736.db2.gz CFOWTVVJSNSULJ-HNNXBMFYSA-N 0 1 313.869 4.275 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514380 1049061154 /nfs/dbraw/zinc/06/11/54/1049061154.db2.gz ZRUVZPQYNSBTQO-JKSUJKDBSA-N 0 1 311.853 4.292 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c(Cl)c1 ZINC001178747295 1049081395 /nfs/dbraw/zinc/08/13/95/1049081395.db2.gz KYIIIBDVKHYMKT-GFCCVEGCSA-N 0 1 308.636 4.028 20 10 DICDMN CC[C@@H]([NH2+]CCCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000775522867 1049081385 /nfs/dbraw/zinc/08/13/85/1049081385.db2.gz COFJIVZKFZNMGM-CYBMUJFWSA-N 0 1 310.850 4.176 20 10 DICDMN CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775520545 1049083328 /nfs/dbraw/zinc/08/33/28/1049083328.db2.gz SNESZCSCRATERZ-GNHJJJEISA-N 0 1 311.853 4.170 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cc(Cl)ccc1[O-] ZINC000775522768 1049083417 /nfs/dbraw/zinc/08/34/17/1049083417.db2.gz ZWJSHNZVISMISO-AEFFLSMTSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775524967 1049090217 /nfs/dbraw/zinc/09/02/17/1049090217.db2.gz XEPFMVKUQOPFFZ-GDBMZVCRSA-N 0 1 313.869 4.129 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(Br)ccc1[O-] ZINC000775527411 1049098736 /nfs/dbraw/zinc/09/87/36/1049098736.db2.gz XJWPZDMCFLOCRO-GXFFZTMASA-N 0 1 323.234 4.285 20 10 DICDMN CC[C@@H]([NH2+]C1(C2CC2)CC1)c1cc(Br)ccc1[O-] ZINC000775534767 1049118687 /nfs/dbraw/zinc/11/86/87/1049118687.db2.gz IECKEQLLFSSSHS-CYBMUJFWSA-N 0 1 310.235 4.138 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001204271033 1049125688 /nfs/dbraw/zinc/12/56/88/1049125688.db2.gz VFHPBMYMORTWND-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775555941 1049153835 /nfs/dbraw/zinc/15/38/35/1049153835.db2.gz SZENBVMYAZYDOH-KMFMINBZSA-N 0 1 309.837 4.044 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775555948 1049155103 /nfs/dbraw/zinc/15/51/03/1049155103.db2.gz SZENBVMYAZYDOH-UKPHBRMFSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542905 1049185256 /nfs/dbraw/zinc/18/52/56/1049185256.db2.gz JLJBZWFYJNJVCR-CZUORRHYSA-N 0 1 301.817 4.424 20 10 DICDMN CC[C@@H](NCc1ccc2c(c1)CCO2)c1cc(F)ccc1OC ZINC001179631238 1049191027 /nfs/dbraw/zinc/19/10/27/1049191027.db2.gz KXBFASWZTCFZEU-QGZVFWFLSA-N 0 1 315.388 4.010 20 10 DICDMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462627 1049212072 /nfs/dbraw/zinc/21/20/72/1049212072.db2.gz WVTXJOCJBBNUKM-SUMWQHHRSA-N 0 1 307.409 4.135 20 10 DICDMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001204681930 1049222215 /nfs/dbraw/zinc/22/22/15/1049222215.db2.gz NHVUFGRWQLLMBI-UONOGXRCSA-N 0 1 317.379 4.357 20 10 DICDMN CCc1cccc(CN2CCc3c(Cl)cccc3C2)c1O ZINC001179864928 1049223713 /nfs/dbraw/zinc/22/37/13/1049223713.db2.gz YRYSRSUDSKMZOA-UHFFFAOYSA-N 0 1 301.817 4.166 20 10 DICDMN CC(C)(C)c1cccc(NC(=O)c2cc(O)c(O)c(Cl)c2)c1 ZINC001193625778 1049233224 /nfs/dbraw/zinc/23/32/24/1049233224.db2.gz SPWJDRQIDOXQMT-UHFFFAOYSA-N 0 1 319.788 4.301 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001180007085 1049255180 /nfs/dbraw/zinc/25/51/80/1049255180.db2.gz PRVDAZQDQUOWPV-OAHLLOKOSA-N 0 1 317.379 4.125 20 10 DICDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])cc(C)cc1Cl ZINC001180042805 1049260381 /nfs/dbraw/zinc/26/03/81/1049260381.db2.gz JUEVATAGQLDNET-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])cc(C)cc1Cl ZINC001180042805 1049260401 /nfs/dbraw/zinc/26/04/01/1049260401.db2.gz JUEVATAGQLDNET-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2CCc2ccccc2)ccc(F)c1F ZINC001180043179 1049263379 /nfs/dbraw/zinc/26/33/79/1049263379.db2.gz PMEWCGYNOYNPLK-INIZCTEOSA-N 0 1 317.379 4.268 20 10 DICDMN Cc1cc(CN[C@@H](C)c2cnccn2)c(C)n1-c1cccc(C)c1 ZINC000858541054 1049271325 /nfs/dbraw/zinc/27/13/25/1049271325.db2.gz GBIAFMTVOBYAEI-INIZCTEOSA-N 0 1 320.440 4.043 20 10 DICDMN Cc1cc(CN[C@@H](C)c2cncnc2C)c(C)n1-c1ccccc1 ZINC000858542329 1049271695 /nfs/dbraw/zinc/27/16/95/1049271695.db2.gz KKBUHPPCOWFDIB-HNNXBMFYSA-N 0 1 320.440 4.043 20 10 DICDMN Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142329 1049282566 /nfs/dbraw/zinc/28/25/66/1049282566.db2.gz MXXHATPCCIRZAE-ZFWWWQNUSA-N 0 1 317.379 4.357 20 10 DICDMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001204866453 1049288352 /nfs/dbraw/zinc/28/83/52/1049288352.db2.gz NKTVQUXFCFZTRK-AWEZNQCLSA-N 0 1 309.381 4.241 20 10 DICDMN COc1ccccc1CC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001180188905 1049297848 /nfs/dbraw/zinc/29/78/48/1049297848.db2.gz 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C[C@H](NCc1cccc(Cl)c1F)c1ccc(N(C)C)cc1 ZINC000766281035 1050782258 /nfs/dbraw/zinc/78/22/58/1050782258.db2.gz WJUOITKAGFPYDK-LBPRGKRZSA-N 0 1 306.812 4.396 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000742152572 1050806358 /nfs/dbraw/zinc/80/63/58/1050806358.db2.gz IWZZLDCJVAHPSR-QGZVFWFLSA-N 0 1 318.420 4.005 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000742152572 1050806378 /nfs/dbraw/zinc/80/63/78/1050806378.db2.gz IWZZLDCJVAHPSR-QGZVFWFLSA-N 0 1 318.420 4.005 20 10 DICDMN Cc1cccc(F)c1CNCc1ccc(N2CCCCC2)cc1 ZINC000742381054 1050824011 /nfs/dbraw/zinc/82/40/11/1050824011.db2.gz NRKFSGYRQMTIIO-UHFFFAOYSA-N 0 1 312.432 4.414 20 10 DICDMN COc1ccc([C@@H](C)CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000742373413 1050835641 /nfs/dbraw/zinc/83/56/41/1050835641.db2.gz BZNKOWYALIBYHJ-ZDUSSCGKSA-N 0 1 319.832 4.338 20 10 DICDMN Cc1c(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cccc1[N+](=O)[O-] ZINC000790697272 1050986338 /nfs/dbraw/zinc/98/63/38/1050986338.db2.gz 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[O-]c1ccccc1C[N@@H+](CCCCCCCO)C1CCCC1 ZINC000743847743 1051070668 /nfs/dbraw/zinc/07/06/68/1051070668.db2.gz IIFISZHMZYTZRE-UHFFFAOYSA-N 0 1 305.462 4.080 20 10 DICDMN [O-]c1ccccc1C[N@H+](CCCCCCCO)C1CCCC1 ZINC000743847743 1051070681 /nfs/dbraw/zinc/07/06/81/1051070681.db2.gz IIFISZHMZYTZRE-UHFFFAOYSA-N 0 1 305.462 4.080 20 10 DICDMN Cc1cc2nccn2cc1NCc1cc2ccccc2cc1O ZINC001171405237 1051091654 /nfs/dbraw/zinc/09/16/54/1051091654.db2.gz SJDRUCYZJQKALK-UHFFFAOYSA-N 0 1 303.365 4.114 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000037067424 1051108916 /nfs/dbraw/zinc/10/89/16/1051108916.db2.gz QWKFKKRJYHIBCX-INIZCTEOSA-N 0 1 305.805 4.295 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000037128117 1051113304 /nfs/dbraw/zinc/11/33/04/1051113304.db2.gz ZNKAHZQSROOZDA-AWEZNQCLSA-N 0 1 305.830 4.372 20 10 DICDMN C[C@@H]1CCSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000792197189 1051126935 /nfs/dbraw/zinc/12/69/35/1051126935.db2.gz PKXCWMYFZAZXFQ-SECBINFHSA-N 0 1 306.258 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DVMYWVZWAWAIOB-GFCCVEGCSA-N 0 1 319.807 4.174 20 10 DICDMN C[C@H](NCc1ccc(F)cn1)c1ccc(N2CCCCC2)cc1 ZINC000766609386 1051542955 /nfs/dbraw/zinc/54/29/55/1051542955.db2.gz YTSSWTQAXLIRQY-HNNXBMFYSA-N 0 1 313.420 4.062 20 10 DICDMN Cc1ccc(F)c(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000766629543 1051559802 /nfs/dbraw/zinc/55/98/02/1051559802.db2.gz DBBDPGCINPPKMY-UHFFFAOYSA-N 0 1 310.372 4.020 20 10 DICDMN Cc1ccc(F)c(C[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000766629543 1051559818 /nfs/dbraw/zinc/55/98/18/1051559818.db2.gz DBBDPGCINPPKMY-UHFFFAOYSA-N 0 1 310.372 4.020 20 10 DICDMN O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccc1 ZINC000806085495 1051729514 /nfs/dbraw/zinc/72/95/14/1051729514.db2.gz QPZWDKJNCRHWEE-UHFFFAOYSA-N 0 1 311.168 4.021 20 10 DICDMN CCCCCn1cc(C[NH2+]Cc2c([O-])cccc2Cl)c(C)n1 ZINC000767427656 1051807034 /nfs/dbraw/zinc/80/70/34/1051807034.db2.gz VCPFOZPPXWYCSL-UHFFFAOYSA-N 0 1 321.852 4.031 20 10 DICDMN CC[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(Cl)c1O ZINC000806663245 1051843538 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ZINC000807839939 1051935180 /nfs/dbraw/zinc/93/51/80/1051935180.db2.gz NGNDZWJCVHMGDV-SECBINFHSA-N 0 1 304.217 4.142 20 10 DICDMN CC(C)CC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836653 1051936412 /nfs/dbraw/zinc/93/64/12/1051936412.db2.gz JABUMOMRXREXGD-UHFFFAOYSA-N 0 1 318.244 4.388 20 10 DICDMN CC1(C)CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837270 1051936593 /nfs/dbraw/zinc/93/65/93/1051936593.db2.gz JIGYHNYEBOMQIQ-LLVKDONJSA-N 0 1 316.228 4.142 20 10 DICDMN C[C@H](CC(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837970 1051937046 /nfs/dbraw/zinc/93/70/46/1051937046.db2.gz GWAMGAMUDGBPPQ-SECBINFHSA-N 0 1 318.244 4.388 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ncc(Cl)cc1F ZINC000808087062 1051975723 /nfs/dbraw/zinc/97/57/23/1051975723.db2.gz NQCLHOSRUCKHDT-UHFFFAOYSA-N 0 1 321.566 4.499 20 10 DICDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000768873592 1051975985 /nfs/dbraw/zinc/97/59/85/1051975985.db2.gz QNPDOWWPSHSVCN-GFCCVEGCSA-N 0 1 305.805 4.334 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](C)c1cccc(O)c1 ZINC000768873592 1051975995 /nfs/dbraw/zinc/97/59/95/1051975995.db2.gz QNPDOWWPSHSVCN-GFCCVEGCSA-N 0 1 305.805 4.334 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769104622 1052002022 /nfs/dbraw/zinc/00/20/22/1052002022.db2.gz JNLJPARQCYGBES-INIZCTEOSA-N 0 1 303.789 4.088 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769104622 1052002032 /nfs/dbraw/zinc/00/20/32/1052002032.db2.gz JNLJPARQCYGBES-INIZCTEOSA-N 0 1 303.789 4.088 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1cc(F)c(F)cc1F ZINC000769201802 1052008399 /nfs/dbraw/zinc/00/83/99/1052008399.db2.gz ZOYLNCNMYWSABH-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN COc1cccc(O)c1CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000769428703 1052047606 /nfs/dbraw/zinc/04/76/06/1052047606.db2.gz REMYOSHEKOATQU-MRXNPFEDSA-N 0 1 319.351 4.016 20 10 DICDMN C[C@@H]1SCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000769445685 1052056760 /nfs/dbraw/zinc/05/67/60/1052056760.db2.gz 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Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1[O-] ZINC000808716936 1052075379 /nfs/dbraw/zinc/07/53/79/1052075379.db2.gz AADWMGOSFCSSGY-CJNGLKHVSA-N 0 1 323.864 4.354 20 10 DICDMN CC[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808727264 1052083793 /nfs/dbraw/zinc/08/37/93/1052083793.db2.gz FTXFXPGJBOSBLF-WBMJQRKESA-N 0 1 317.816 4.263 20 10 DICDMN CCc1nc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)cs1 ZINC000808693886 1052083974 /nfs/dbraw/zinc/08/39/74/1052083974.db2.gz SZEQZZHPHVLJCG-JTQLQIEISA-N 0 1 310.850 4.224 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000808727262 1052084006 /nfs/dbraw/zinc/08/40/06/1052084006.db2.gz FTXFXPGJBOSBLF-MLGOLLRUSA-N 0 1 317.816 4.263 20 10 DICDMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000914784689 1052250881 /nfs/dbraw/zinc/25/08/81/1052250881.db2.gz IIIAZYKSEGSJFK-CZUORRHYSA-N 0 1 305.462 4.406 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000311373645 1052280620 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C[N@H+](Cc1c([O-])ccc2ccccc21)C1Cc2ccccc2C1 ZINC000919949915 1052905258 /nfs/dbraw/zinc/90/52/58/1052905258.db2.gz QCWUEPUEJUNYTA-UHFFFAOYSA-N 0 1 303.405 4.145 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)C1Cc2ccccc2C1 ZINC000919949915 1052905263 /nfs/dbraw/zinc/90/52/63/1052905263.db2.gz QCWUEPUEJUNYTA-UHFFFAOYSA-N 0 1 303.405 4.145 20 10 DICDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(OC[C@H]2CCC=CO2)=C1 ZINC001227488069 1052995509 /nfs/dbraw/zinc/99/55/09/1052995509.db2.gz CNSUZQLBRYTRMJ-ATQAJOFPSA-N 0 1 311.341 4.274 20 10 DICDMN CCO[C@H](C)COC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1 ZINC001227491997 1052996043 /nfs/dbraw/zinc/99/60/43/1052996043.db2.gz LWLNNYZBBDCMNA-ROHOOWMXSA-N 0 1 301.346 4.006 20 10 DICDMN C[C@@H]1C[C@H](OC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)CCO1 ZINC001227490994 1052996260 /nfs/dbraw/zinc/99/62/60/1052996260.db2.gz BGWLJBMELCPHTL-CMHCRCECSA-N 0 1 313.357 4.149 20 10 DICDMN CN1CCC[C@@H](Oc2ccccc2NN=C2C=CC=CC2=O)C1 ZINC001228419845 1053097505 /nfs/dbraw/zinc/09/75/05/1053097505.db2.gz 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1053902979 /nfs/dbraw/zinc/90/29/79/1053902979.db2.gz CBPYQGKSVFYHAR-UHFFFAOYSA-N 0 1 303.405 4.494 20 10 DICDMN C[N@@H+](CCc1cccc(F)c1)Cc1ccc2ccccc2c1O ZINC001231884047 1053904996 /nfs/dbraw/zinc/90/49/96/1053904996.db2.gz WXUZZFUYSKSHRG-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN C[N@H+](CCc1cccc(F)c1)Cc1ccc2ccccc2c1[O-] ZINC001231884047 1053905003 /nfs/dbraw/zinc/90/50/03/1053905003.db2.gz WXUZZFUYSKSHRG-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN C[N@@H+](CCc1cccc(F)c1)Cc1ccc2ccccc2c1[O-] ZINC001231884047 1053905019 /nfs/dbraw/zinc/90/50/19/1053905019.db2.gz WXUZZFUYSKSHRG-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN Oc1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882654 1053907115 /nfs/dbraw/zinc/90/71/15/1053907115.db2.gz RBTFXVSQTQMHLS-IBGZPJMESA-N 0 1 319.404 4.199 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882654 1053907125 /nfs/dbraw/zinc/90/71/25/1053907125.db2.gz RBTFXVSQTQMHLS-IBGZPJMESA-N 0 1 319.404 4.199 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)ccc2ccccc21 ZINC001231882654 1053907134 /nfs/dbraw/zinc/90/71/34/1053907134.db2.gz RBTFXVSQTQMHLS-IBGZPJMESA-N 0 1 319.404 4.199 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001231911857 1053916606 /nfs/dbraw/zinc/91/66/06/1053916606.db2.gz OEOVTBIICYIAST-UHFFFAOYSA-N 0 1 305.849 4.446 20 10 DICDMN CN(Cc1cccc(Cl)c1O)[C@@H](C1CCC1)C(F)(F)F ZINC001231912786 1053917067 /nfs/dbraw/zinc/91/70/67/1053917067.db2.gz ZNFLSEBRUAALRM-ZDUSSCGKSA-N 0 1 307.743 4.208 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC001231912290 1053917453 /nfs/dbraw/zinc/91/74/53/1053917453.db2.gz CAWSGICPZBRJGW-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cccc(Cl)c1[O-] ZINC001231912781 1053917677 /nfs/dbraw/zinc/91/76/77/1053917677.db2.gz ZLFZGOHSZDWQDB-UHFFFAOYSA-N 0 1 310.224 4.374 20 10 DICDMN C[C@@H](NCc1cnc(-c2ccccc2)o1)c1ccc(N(C)C)cc1 ZINC001354627837 1053926869 /nfs/dbraw/zinc/92/68/69/1053926869.db2.gz ZXGPKPOMKNVRAC-OAHLLOKOSA-N 0 1 321.424 4.258 20 10 DICDMN CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264661 1054005011 /nfs/dbraw/zinc/00/50/11/1054005011.db2.gz LOEPHXXTZYVHOZ-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232264661 1054005024 /nfs/dbraw/zinc/00/50/24/1054005024.db2.gz LOEPHXXTZYVHOZ-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN COc1cc([O-])c(C[N@H+](Cc2ccccc2)C(C)C)cc1Cl ZINC001232264584 1054007512 /nfs/dbraw/zinc/00/75/12/1054007512.db2.gz JHTONHLCICGOHP-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN COc1cc([O-])c(C[N@@H+](Cc2ccccc2)C(C)C)cc1Cl ZINC001232264584 1054007528 /nfs/dbraw/zinc/00/75/28/1054007528.db2.gz JHTONHLCICGOHP-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC001232271520 1054009417 /nfs/dbraw/zinc/00/94/17/1054009417.db2.gz VSJSTFYBSBCHIQ-UHFFFAOYSA-N 0 1 309.837 4.210 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC001232271520 1054009429 /nfs/dbraw/zinc/00/94/29/1054009429.db2.gz VSJSTFYBSBCHIQ-UHFFFAOYSA-N 0 1 309.837 4.210 20 10 DICDMN COc1cc([O-])c(C[N@H+](C)C/C=C/c2ccccc2)cc1Cl ZINC001232267988 1054010723 /nfs/dbraw/zinc/01/07/23/1054010723.db2.gz KZPBHIGEZZAGKX-RMKNXTFCSA-N 0 1 317.816 4.199 20 10 DICDMN COc1cc([O-])c(C[N@@H+](C)C/C=C/c2ccccc2)cc1Cl ZINC001232267988 1054010737 /nfs/dbraw/zinc/01/07/37/1054010737.db2.gz KZPBHIGEZZAGKX-RMKNXTFCSA-N 0 1 317.816 4.199 20 10 DICDMN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000848558830 1054149658 /nfs/dbraw/zinc/14/96/58/1054149658.db2.gz OBXUNZVUYRIHJF-YMRXKLBXSA-N 0 1 309.837 4.044 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000848565349 1054151608 /nfs/dbraw/zinc/15/16/08/1054151608.db2.gz NOXFPGLZDNBCHX-LSDHHAIUSA-N 0 1 306.409 4.222 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2noc3ccccc23)cc1 ZINC000848573608 1054156534 /nfs/dbraw/zinc/15/65/34/1054156534.db2.gz WLSZMOUZIQDXKW-CQSZACIVSA-N 0 1 309.413 4.135 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])Cc1cccc2ccccc21 ZINC001233077533 1054183060 /nfs/dbraw/zinc/18/30/60/1054183060.db2.gz RACMBWQQFDVYDZ-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)ccc(F)c1F ZINC001233077412 1054183663 /nfs/dbraw/zinc/18/36/63/1054183663.db2.gz MQMHDWVSBPJYMN-OAHLLOKOSA-N 0 1 307.315 4.147 20 10 DICDMN CC[N@@H+](Cc1ccc([S-])cc1)Cc1ccc(N(C)C)cc1 ZINC001233262491 1054219170 /nfs/dbraw/zinc/21/91/70/1054219170.db2.gz JEMRJWHQDWLCKX-UHFFFAOYSA-N 0 1 300.471 4.063 20 10 DICDMN CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001233286249 1054221273 /nfs/dbraw/zinc/22/12/73/1054221273.db2.gz MAJQQQPFGNDVNV-OAHLLOKOSA-N 0 1 316.470 4.483 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCC[C@@H]2c2nccs2)c1 ZINC001233286249 1054221280 /nfs/dbraw/zinc/22/12/80/1054221280.db2.gz MAJQQQPFGNDVNV-OAHLLOKOSA-N 0 1 316.470 4.483 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001233284434 1054222615 /nfs/dbraw/zinc/22/26/15/1054222615.db2.gz USMNCLMLNJYQNS-HNNXBMFYSA-N 0 1 315.379 4.259 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc(F)c1F)C(C)(C)Cc1ccccc1 ZINC001233335942 1054239197 /nfs/dbraw/zinc/23/91/97/1054239197.db2.gz RUTZVVZLPZTMTE-UHFFFAOYSA-N 0 1 305.368 4.124 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001233335165 1054239728 /nfs/dbraw/zinc/23/97/28/1054239728.db2.gz KAVOZLBYAMPNSD-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@H](c3ccccc3)C2)cccc1C(F)(F)F ZINC001233415582 1054266228 /nfs/dbraw/zinc/26/62/28/1054266228.db2.gz BKQWBZBCQLZZCR-AWEZNQCLSA-N 0 1 321.342 4.401 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2ccccn2)cccc1C(F)(F)F ZINC001233417812 1054268115 /nfs/dbraw/zinc/26/81/15/1054268115.db2.gz JQTFEKUVRXQERC-HNNXBMFYSA-N 0 1 322.330 4.143 20 10 DICDMN Cc1cccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001233451636 1054277304 /nfs/dbraw/zinc/27/73/04/1054277304.db2.gz SOFKJJRHTVBVNW-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN Cc1cccc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001233451636 1054277296 /nfs/dbraw/zinc/27/72/96/1054277296.db2.gz SOFKJJRHTVBVNW-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN CCC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233754805 1054351207 /nfs/dbraw/zinc/35/12/07/1054351207.db2.gz LQIYSRKZUDJPFJ-ZDUSSCGKSA-N 0 1 317.351 4.445 20 10 DICDMN CCC[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754805 1054351220 /nfs/dbraw/zinc/35/12/20/1054351220.db2.gz LQIYSRKZUDJPFJ-ZDUSSCGKSA-N 0 1 317.351 4.445 20 10 DICDMN CCC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754805 1054351232 /nfs/dbraw/zinc/35/12/32/1054351232.db2.gz LQIYSRKZUDJPFJ-ZDUSSCGKSA-N 0 1 317.351 4.445 20 10 DICDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233776431 1054356356 /nfs/dbraw/zinc/35/63/56/1054356356.db2.gz SAMGCGSEUXZEOB-AULYBMBSSA-N 0 1 317.351 4.301 20 10 DICDMN C[C@H]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233776431 1054356368 /nfs/dbraw/zinc/35/63/68/1054356368.db2.gz SAMGCGSEUXZEOB-AULYBMBSSA-N 0 1 317.351 4.301 20 10 DICDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001233776431 1054356381 /nfs/dbraw/zinc/35/63/81/1054356381.db2.gz SAMGCGSEUXZEOB-AULYBMBSSA-N 0 1 317.351 4.301 20 10 DICDMN Cc1ccc(CN(Cc2ccc(N3CCCC3)cc2)C2CC2)o1 ZINC001341523319 1054393484 /nfs/dbraw/zinc/39/34/84/1054393484.db2.gz PFODXLKCFCBJBV-UHFFFAOYSA-N 0 1 310.441 4.353 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1O ZINC000185300831 1054511767 /nfs/dbraw/zinc/51/17/67/1054511767.db2.gz SMHKHLJOMUWRHB-CYBMUJFWSA-N 0 1 323.392 4.110 20 10 DICDMN Cc1csc([C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185323891 1054523617 /nfs/dbraw/zinc/52/36/17/1054523617.db2.gz ZKZPBADMWKDZJA-OLZOCXBDSA-N 0 1 316.470 4.448 20 10 DICDMN COc1ccc2ccc(O)c(C[N@H+]3CCCC(F)(F)CC3)c2c1 ZINC001234526650 1054543083 /nfs/dbraw/zinc/54/30/83/1054543083.db2.gz XWFAMVINNKTUQE-UHFFFAOYSA-N 0 1 321.367 4.175 20 10 DICDMN Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185435394 1054547129 /nfs/dbraw/zinc/54/71/29/1054547129.db2.gz HDGISICOWFCAHZ-QRWLVFNGSA-N 0 1 321.420 4.238 20 10 DICDMN COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000185566948 1054582189 /nfs/dbraw/zinc/58/21/89/1054582189.db2.gz IONOFHRGRCSGPR-QWHCGFSZSA-N 0 1 303.377 4.260 20 10 DICDMN Cc1ccc([C@H](C)NCc2coc(-c3ccccc3)n2)c(O)c1 ZINC000185571528 1054582618 /nfs/dbraw/zinc/58/26/18/1054582618.db2.gz JDQPWVFPRCHVSF-AWEZNQCLSA-N 0 1 308.381 4.206 20 10 DICDMN CCOCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000185749056 1054631956 /nfs/dbraw/zinc/63/19/56/1054631956.db2.gz IAMOOIIFNOGCPO-AWEZNQCLSA-N 0 1 309.425 4.169 20 10 DICDMN Oc1cccc2c1C[N@@H+](Cc1ccccc1-c1ccncc1)CC2 ZINC001235620475 1054758209 /nfs/dbraw/zinc/75/82/09/1054758209.db2.gz JVTQFWTVXCFHPZ-UHFFFAOYSA-N 0 1 316.404 4.013 20 10 DICDMN CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001235682167 1054773554 /nfs/dbraw/zinc/77/35/54/1054773554.db2.gz OKNLCPYPTITLPO-GASCZTMLSA-N 0 1 309.400 4.167 20 10 DICDMN CN1CCN(c2ccc(C3=CC[C@H](C(F)(F)F)CC3)cc2)CC1 ZINC001236254720 1055037850 /nfs/dbraw/zinc/03/78/50/1055037850.db2.gz RFHHQHXZEHMUJO-INIZCTEOSA-N 0 1 324.390 4.184 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCCC[C@H]2C)c1 ZINC001236667000 1055219825 /nfs/dbraw/zinc/21/98/25/1055219825.db2.gz YQTYJGBPIHVXKK-GFCCVEGCSA-N 0 1 312.251 4.228 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H](C)C2)c1 ZINC001236665005 1055222409 /nfs/dbraw/zinc/22/24/09/1055222409.db2.gz ZXPGWEGOFMSWCH-NSHDSACASA-N 0 1 312.251 4.085 20 10 DICDMN CCc1ccc(C[N@@H+](CC)CCc2ccc(OC)cc2)c(O)c1 ZINC001236788500 1055259057 /nfs/dbraw/zinc/25/90/57/1055259057.db2.gz OOZIYBNQQLSVFP-UHFFFAOYSA-N 0 1 313.441 4.028 20 10 DICDMN C[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1CC(F)(F)C1 ZINC001236797647 1055263059 /nfs/dbraw/zinc/26/30/59/1055263059.db2.gz DFNZXIQNEDFTRE-UHFFFAOYSA-N 0 1 310.171 4.176 20 10 DICDMN CCN(Cc1cccc(F)c1)Cc1c(O)cc(OC)cc1Cl ZINC001236807805 1055265239 /nfs/dbraw/zinc/26/52/39/1055265239.db2.gz 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ZINC001236797743 1055266919 /nfs/dbraw/zinc/26/69/19/1055266919.db2.gz IQFNBEIKBVFTRR-UHFFFAOYSA-N 0 1 309.837 4.210 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236804040 1055267069 /nfs/dbraw/zinc/26/70/69/1055267069.db2.gz RYPUNQRWQJYCHA-WBMJQRKESA-N 0 1 309.837 4.209 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236804040 1055267077 /nfs/dbraw/zinc/26/70/77/1055267077.db2.gz RYPUNQRWQJYCHA-WBMJQRKESA-N 0 1 309.837 4.209 20 10 DICDMN COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C)c2)c([O-])c1Cl ZINC001236808691 1055270505 /nfs/dbraw/zinc/27/05/05/1055270505.db2.gz IKEXKFPYFOIIIV-UHFFFAOYSA-N 0 1 319.832 4.303 20 10 DICDMN CCOc1ccc(CN(CC)Cc2cccc(F)c2F)c(O)c1 ZINC001237047229 1055349259 /nfs/dbraw/zinc/34/92/59/1055349259.db2.gz VOZYETJQPKBJEQ-UHFFFAOYSA-N 0 1 321.367 4.091 20 10 DICDMN CCC(CC)[N@H+](CC)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237060004 1055360957 /nfs/dbraw/zinc/36/09/57/1055360957.db2.gz SHTBTSOJMWEOKE-UHFFFAOYSA-N 0 1 319.367 4.344 20 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/nfs/dbraw/zinc/37/92/69/1055379269.db2.gz OLTUOUHQQAWGQA-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)[C@@H]1CCc2ccccc21 ZINC001237128539 1055381272 /nfs/dbraw/zinc/38/12/72/1055381272.db2.gz RIJPOVCOIHTTEP-OAHLLOKOSA-N 0 1 305.780 4.304 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)[C@@H]1CCc2ccccc21 ZINC001237128539 1055381290 /nfs/dbraw/zinc/38/12/90/1055381290.db2.gz RIJPOVCOIHTTEP-OAHLLOKOSA-N 0 1 305.780 4.304 20 10 DICDMN Oc1ccc(C(F)(F)F)cc1CN1CCC[C@@H]1c1ccncc1 ZINC001237140003 1055384869 /nfs/dbraw/zinc/38/48/69/1055384869.db2.gz SXPPPWIMZBMPOZ-OAHLLOKOSA-N 0 1 322.330 4.143 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2ccc(F)cc2F)cc1 ZINC000765461727 1055396255 /nfs/dbraw/zinc/39/62/55/1055396255.db2.gz BKVJDNMFCORBOI-ZDUSSCGKSA-N 0 1 304.384 4.272 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(F)cc2F)cc1 ZINC000765461723 1055396852 /nfs/dbraw/zinc/39/68/52/1055396852.db2.gz BKVJDNMFCORBOI-CYBMUJFWSA-N 0 1 304.384 4.272 20 10 DICDMN Oc1cccc2c1CN(Cc1ccc3nccc(Cl)c3c1)CC2 ZINC001237274146 1055412300 /nfs/dbraw/zinc/41/23/00/1055412300.db2.gz ZTJIJPWWCYDJDC-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN Oc1c(F)cc(Cl)cc1CN1Cc2ccc(Cl)cc2C1 ZINC001237623660 1055488974 /nfs/dbraw/zinc/48/89/74/1055488974.db2.gz SCNWAKLUHKUGTJ-UHFFFAOYSA-N 0 1 312.171 4.354 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC001237622762 1055489138 /nfs/dbraw/zinc/48/91/38/1055489138.db2.gz ZCTYRIQAYMNBAA-INIZCTEOSA-N 0 1 320.795 4.225 20 10 DICDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1cccc(F)c1F ZINC001620867622 1055493949 /nfs/dbraw/zinc/49/39/49/1055493949.db2.gz UCGONEWXUVNPOH-LBPRGKRZSA-N 0 1 303.352 4.141 20 10 DICDMN CCC(CC)[C@H](CC[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC001620868423 1055495484 /nfs/dbraw/zinc/49/54/84/1055495484.db2.gz CKKANAJIVPPGKB-KRWDZBQOSA-N 0 1 313.869 4.285 20 10 DICDMN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c1O ZINC001237680867 1055502321 /nfs/dbraw/zinc/50/23/21/1055502321.db2.gz JBADIVZRPWINOP-NSHDSACASA-N 0 1 303.780 4.221 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Br ZINC001237682973 1055503311 /nfs/dbraw/zinc/50/33/11/1055503311.db2.gz VSLDLOSRYGOUSS-DOMZBBRYSA-N 0 1 324.262 4.228 20 10 DICDMN Cc1cc(O)c(CN2CC3(C2)CCCCC3)cc1Br ZINC001237680498 1055505186 /nfs/dbraw/zinc/50/51/86/1055505186.db2.gz CPNPBFDNIHMLGV-UHFFFAOYSA-N 0 1 324.262 4.229 20 10 DICDMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000765610646 1055513612 /nfs/dbraw/zinc/51/36/12/1055513612.db2.gz WSAQYDYZRQKIFK-GFCCVEGCSA-N 0 1 317.816 4.134 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c(Cl)c1 ZINC001620893084 1055517430 /nfs/dbraw/zinc/51/74/30/1055517430.db2.gz BKUDWVCAXDXUCC-CVEARBPZSA-N 0 1 311.853 4.036 20 10 DICDMN CCc1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCCO3)CCO2 ZINC001620895513 1055521964 /nfs/dbraw/zinc/52/19/64/1055521964.db2.gz DUDVETMVOPJXDF-LJQANCHMSA-N 0 1 323.436 4.187 20 10 DICDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001237798508 1055532699 /nfs/dbraw/zinc/53/26/99/1055532699.db2.gz HFOISMHYFZWCMM-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950424 1055563473 /nfs/dbraw/zinc/56/34/73/1055563473.db2.gz SXOKDZUIWUEHTO-NSHDSACASA-N 0 1 323.795 4.386 20 10 DICDMN CSc1ccc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001238681771 1055719583 /nfs/dbraw/zinc/71/95/83/1055719583.db2.gz TXIPHQBAYXLVIC-UHFFFAOYSA-N 0 1 319.857 4.326 20 10 DICDMN Cc1ccc(CNCc2ccc3c(c2)CCCN3C)c(Cl)c1 ZINC001620751897 1055926175 /nfs/dbraw/zinc/92/61/75/1055926175.db2.gz KBCJEZWVBXNWAM-UHFFFAOYSA-N 0 1 314.860 4.321 20 10 DICDMN COc1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1C ZINC001649085705 1055946211 /nfs/dbraw/zinc/94/62/11/1055946211.db2.gz XVCQXSPNBFZBCX-OAQYLSRUSA-N 0 1 318.420 4.278 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001621321863 1056029128 /nfs/dbraw/zinc/02/91/28/1056029128.db2.gz MPEATYIQSKWFMO-PXAZEXFGSA-N 0 1 303.352 4.254 20 10 DICDMN C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001621321866 1056030797 /nfs/dbraw/zinc/03/07/97/1056030797.db2.gz MPEATYIQSKWFMO-YVEFUNNKSA-N 0 1 303.352 4.254 20 10 DICDMN COc1ccc(-c2nccc3c2ccn3Cc2ccccc2)cn1 ZINC001239724134 1056042993 /nfs/dbraw/zinc/04/29/93/1056042993.db2.gz SXQAMJAMQHMZBG-UHFFFAOYSA-N 0 1 315.376 4.155 20 10 DICDMN Cc1cc(CN(C)[C@H](C)c2ccccc2F)ccc1N(C)C ZINC001615187851 1056472403 /nfs/dbraw/zinc/47/24/03/1056472403.db2.gz NGQDEDCNSJCHEB-OAHLLOKOSA-N 0 1 300.421 4.393 20 10 DICDMN CC(C)(C)c1cccc(CN2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001143103365 1056763122 /nfs/dbraw/zinc/76/31/22/1056763122.db2.gz ATGUMDJLJRDAGG-AWEZNQCLSA-N 0 1 315.379 4.259 20 10 DICDMN CC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H](C)C(C)C ZINC000706847960 1057482604 /nfs/dbraw/zinc/48/26/04/1057482604.db2.gz YJSVXBNCJULVIB-NSHDSACASA-N 0 1 300.240 4.021 20 10 DICDMN CN(Cc1ccc(F)cc1Cl)Cc1cc2c(cc1O)CCC2 ZINC000730453954 1057715203 /nfs/dbraw/zinc/71/52/03/1057715203.db2.gz DLQOZZVUJFGKIU-UHFFFAOYSA-N 0 1 319.807 4.305 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730453705 1057715475 /nfs/dbraw/zinc/71/54/75/1057715475.db2.gz ACIMLJFRSZWLHR-HNNXBMFYSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730453705 1057715479 /nfs/dbraw/zinc/71/54/79/1057715479.db2.gz ACIMLJFRSZWLHR-HNNXBMFYSA-N 0 1 322.383 4.069 20 10 DICDMN CCc1nc(CNCc2cc(-c3ccccc3)ccc2O)cs1 ZINC000730818488 1057726533 /nfs/dbraw/zinc/72/65/33/1057726533.db2.gz WCFSDTKQRUTBEE-UHFFFAOYSA-N 0 1 324.449 4.368 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCOc1ccc(F)cc1 ZINC000733323946 1057811917 /nfs/dbraw/zinc/81/19/17/1057811917.db2.gz AWYNKOMDQSUULZ-UHFFFAOYSA-N 0 1 323.795 4.134 20 10 DICDMN Cc1ccc2c(CC[NH2+]Cc3c([O-])cccc3Cl)c[nH]c2c1 ZINC000733327031 1057812691 /nfs/dbraw/zinc/81/26/91/1057812691.db2.gz JRUOUQDMJDMESP-UHFFFAOYSA-N 0 1 314.816 4.168 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(F)cc1Cl ZINC000733330487 1057814200 /nfs/dbraw/zinc/81/42/00/1057814200.db2.gz ZLKJJTBENFXCHA-UHFFFAOYSA-N 0 1 314.187 4.170 20 10 DICDMN Cc1cc(-c2nccc3c2ccn3Cc2ccccc2)cnc1N ZINC001245536209 1058215194 /nfs/dbraw/zinc/21/51/94/1058215194.db2.gz REYIOCDKCZOGGY-UHFFFAOYSA-N 0 1 314.392 4.037 20 10 DICDMN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001556883927 1058664551 /nfs/dbraw/zinc/66/45/51/1058664551.db2.gz IGUWQPYEPOHMIM-SKDRFNHKSA-N 0 1 316.228 4.142 20 10 DICDMN CCN(C)c1ccc(CN2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC001559575842 1059407806 /nfs/dbraw/zinc/40/78/06/1059407806.db2.gz MOIQAYWNLKHKPP-OAQYLSRUSA-N 0 1 324.468 4.025 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1[O-] ZINC001559806738 1059643447 /nfs/dbraw/zinc/64/34/47/1059643447.db2.gz FZECSUHOILKIDG-AWEZNQCLSA-N 0 1 309.837 4.259 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1cccc2nc(C)ccc12 ZINC001248572995 1059893866 /nfs/dbraw/zinc/89/38/66/1059893866.db2.gz CUVNPJAQTQWGLA-UHFFFAOYSA-N 0 1 306.409 4.271 20 10 DICDMN COc1ccc(C)cc1CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001560253184 1060021924 /nfs/dbraw/zinc/02/19/24/1060021924.db2.gz ZKKCPSHBTIESAP-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[NH+]2CCC3(CCO3)CC2)cc1Cl ZINC001248883214 1060037451 /nfs/dbraw/zinc/03/74/51/1060037451.db2.gz AZLHHLNJKSTXGN-UHFFFAOYSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CCC[C@]23CCOC3)cc1Cl ZINC001248884749 1060038993 /nfs/dbraw/zinc/03/89/93/1060038993.db2.gz AYYWNSIOMHUWIE-GOSISDBHSA-N 0 1 323.864 4.098 20 10 DICDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CCC[C@]23CCOC3)cc1Cl ZINC001248884749 1060039013 /nfs/dbraw/zinc/03/90/13/1060039013.db2.gz AYYWNSIOMHUWIE-GOSISDBHSA-N 0 1 323.864 4.098 20 10 DICDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1C ZINC001560357067 1060143330 /nfs/dbraw/zinc/14/33/30/1060143330.db2.gz DNKQOBYKCJBTBY-CQSZACIVSA-N 0 1 319.832 4.301 20 10 DICDMN CC(C)[N@@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC1CC1 ZINC001249245167 1060199761 /nfs/dbraw/zinc/19/97/61/1060199761.db2.gz ZOSQUDUCPWOVGJ-UHFFFAOYSA-N 0 1 301.430 4.197 20 10 DICDMN CC(C)[N@H+](Cc1ccc2c(c1[O-])C=CC(C)(C)O2)CC1CC1 ZINC001249245167 1060199769 /nfs/dbraw/zinc/19/97/69/1060199769.db2.gz ZOSQUDUCPWOVGJ-UHFFFAOYSA-N 0 1 301.430 4.197 20 10 DICDMN CS[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(C)(C)C ZINC001560437312 1060225585 /nfs/dbraw/zinc/22/55/85/1060225585.db2.gz LEQRQBNHZZPLFJ-AWEZNQCLSA-N 0 1 301.883 4.221 20 10 DICDMN CCC[C@@H](C)CC[NH2+]Cc1c([O-])cccc1Br ZINC001560573458 1060389168 /nfs/dbraw/zinc/38/91/68/1060389168.db2.gz TYLHSIPVRUFZTI-LLVKDONJSA-N 0 1 300.240 4.071 20 10 DICDMN CCC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001560635674 1060446807 /nfs/dbraw/zinc/44/68/07/1060446807.db2.gz KNKIVOZCOGYYPQ-USXIJHARSA-N 0 1 323.864 4.071 20 10 DICDMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001560644810 1060466212 /nfs/dbraw/zinc/46/62/12/1060466212.db2.gz HGODNTCTWIAGAC-QGZVFWFLSA-N 0 1 316.832 4.395 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001560644810 1060466218 /nfs/dbraw/zinc/46/62/18/1060466218.db2.gz HGODNTCTWIAGAC-QGZVFWFLSA-N 0 1 316.832 4.395 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])Cc1cccc2ccccc21 ZINC001560648182 1060470226 /nfs/dbraw/zinc/47/02/26/1060470226.db2.gz JPTMTENCUFVPLF-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001560693603 1060545842 /nfs/dbraw/zinc/54/58/42/1060545842.db2.gz DEUIFSPDVNCCCX-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2[O-])cc1 ZINC001560727468 1060594895 /nfs/dbraw/zinc/59/48/95/1060594895.db2.gz IMPQYNJDXATELR-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN Cc1oc2ccccc2c1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560736826 1060606255 /nfs/dbraw/zinc/60/62/55/1060606255.db2.gz NOKSCVWRXJKZHK-UHFFFAOYSA-N 0 1 301.773 4.390 20 10 DICDMN CN(C)c1cc(F)c(CN2CCCC3(CCCC3)C2)cc1F ZINC001560765702 1060629178 /nfs/dbraw/zinc/62/91/78/1060629178.db2.gz RMHYNXPXGFNVLZ-UHFFFAOYSA-N 0 1 308.416 4.187 20 10 DICDMN Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001560786557 1060649865 /nfs/dbraw/zinc/64/98/65/1060649865.db2.gz XQOKDEAIALOEOU-SFHVURJKSA-N 0 1 321.342 4.050 20 10 DICDMN Cc1ccc(F)c(CN(C)Cc2ccc(N(C)C)cc2C)c1 ZINC001560792870 1060651537 /nfs/dbraw/zinc/65/15/37/1060651537.db2.gz XSAXMANOUKMNIP-UHFFFAOYSA-N 0 1 300.421 4.141 20 10 DICDMN C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560821191 1060679615 /nfs/dbraw/zinc/67/96/15/1060679615.db2.gz NSNWLVAIOFYPPT-YVEFUNNKSA-N 0 1 303.352 4.254 20 10 DICDMN CN(C)c1cc(F)c(CN2CCC(C)(C3CC3)CC2)cc1F ZINC001560861354 1060719778 /nfs/dbraw/zinc/71/97/78/1060719778.db2.gz LFOJZRVBEDAENY-UHFFFAOYSA-N 0 1 308.416 4.043 20 10 DICDMN Cc1ccc2c(c1)SCCCN2Cc1ccc(F)c(F)c1O ZINC001560865575 1060726370 /nfs/dbraw/zinc/72/63/70/1060726370.db2.gz DDXROZUZVLDMHK-UHFFFAOYSA-N 0 1 321.392 4.481 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1Cl ZINC001560887754 1060748219 /nfs/dbraw/zinc/74/82/19/1060748219.db2.gz OLTLMSMEXVYDJQ-JTQLQIEISA-N 0 1 311.759 4.483 20 10 DICDMN Fc1cc(F)c(F)c2[nH]c(-c3ccc(N4CCCC4)cc3)nc21 ZINC001250489726 1060844989 /nfs/dbraw/zinc/84/49/89/1060844989.db2.gz DSESFPINKAEPNC-UHFFFAOYSA-N 0 1 317.314 4.247 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC(C)=C(C)C2)c1 ZINC001462156579 1060978944 /nfs/dbraw/zinc/97/89/44/1060978944.db2.gz IJUCVNQOFRTMJO-UHFFFAOYSA-N 0 1 310.235 4.005 20 10 DICDMN CSc1ccccc1C[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001462180402 1061000267 /nfs/dbraw/zinc/00/02/67/1061000267.db2.gz YVPHABSGCMRHSC-UHFFFAOYSA-N 0 1 307.846 4.400 20 10 DICDMN CSc1ccccc1C[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001462180402 1061000286 /nfs/dbraw/zinc/00/02/86/1061000286.db2.gz YVPHABSGCMRHSC-UHFFFAOYSA-N 0 1 307.846 4.400 20 10 DICDMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001462225979 1061042463 /nfs/dbraw/zinc/04/24/63/1061042463.db2.gz PHIZBTGAQBZBGB-HXUWFJFHSA-N 0 1 313.416 4.475 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC001473520611 1061217101 /nfs/dbraw/zinc/21/71/01/1061217101.db2.gz YQNDJTSJLSJJKV-DOMZBBRYSA-N 0 1 321.436 4.381 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC001473520611 1061217125 /nfs/dbraw/zinc/21/71/25/1061217125.db2.gz YQNDJTSJLSJJKV-DOMZBBRYSA-N 0 1 321.436 4.381 20 10 DICDMN Cc1c(Cl)ccc2c1C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001462520664 1061229805 /nfs/dbraw/zinc/22/98/05/1061229805.db2.gz KVRPVAXFTDNHIN-UHFFFAOYSA-N 0 1 323.770 4.191 20 10 DICDMN Cc1cc(O)c(CNCc2c(F)cc(F)cc2F)cc1Cl ZINC001462561834 1061260754 /nfs/dbraw/zinc/26/07/54/1061260754.db2.gz CVBGATOZSNMSHI-UHFFFAOYSA-N 0 1 315.722 4.061 20 10 DICDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1C[C@H]1C1CCCC1 ZINC001462669206 1061327305 /nfs/dbraw/zinc/32/73/05/1061327305.db2.gz SDKLFPKZQSFIPP-HIFRSBDPSA-N 0 1 324.262 4.071 20 10 DICDMN Oc1ccc(Cl)c(F)c1CN[C@H](c1ccccc1)C(F)F ZINC001462684092 1061337067 /nfs/dbraw/zinc/33/70/67/1061337067.db2.gz ZFPMUDSUOZBBNY-CQSZACIVSA-N 0 1 315.722 4.281 20 10 DICDMN CCN(C)c1ccc(CN2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC001473683313 1061339847 /nfs/dbraw/zinc/33/98/47/1061339847.db2.gz NDNCEHOXGBJNPA-LJQANCHMSA-N 0 1 309.457 4.121 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)c2ccc(F)cc2)c(Cl)c1 ZINC001473988499 1061531069 /nfs/dbraw/zinc/53/10/69/1061531069.db2.gz NFTKNDRXLCASQC-GFCCVEGCSA-N 0 1 307.796 4.386 20 10 DICDMN CC(C)(C)C[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC001474092572 1061639316 /nfs/dbraw/zinc/63/93/16/1061639316.db2.gz JUHNTCAQBHJUQX-NSHDSACASA-N 0 1 311.294 4.127 20 10 DICDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1cc(F)ccc1N(C)C ZINC001474305344 1061873448 /nfs/dbraw/zinc/87/34/48/1061873448.db2.gz KRZMQKJDOUXGOX-LLVKDONJSA-N 0 1 322.811 4.102 20 10 DICDMN CC(C)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC001474361109 1061984234 /nfs/dbraw/zinc/98/42/34/1061984234.db2.gz XVSHUWNHKLPFKE-KRWDZBQOSA-N 0 1 301.455 4.119 20 10 DICDMN CC(C)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCS1 ZINC001474361109 1061984250 /nfs/dbraw/zinc/98/42/50/1061984250.db2.gz XVSHUWNHKLPFKE-KRWDZBQOSA-N 0 1 301.455 4.119 20 10 DICDMN COc1cc(CN(C)Cc2ccoc2C)c(O)c(C(C)(C)C)c1 ZINC001474365314 1061999222 /nfs/dbraw/zinc/99/92/22/1061999222.db2.gz CACGVZCMOIUOOJ-UHFFFAOYSA-N 0 1 317.429 4.232 20 10 DICDMN CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001474445468 1062124042 /nfs/dbraw/zinc/12/40/42/1062124042.db2.gz FVKNKPVZKJTBEW-LBPRGKRZSA-N 0 1 307.743 4.208 20 10 DICDMN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001474445468 1062124052 /nfs/dbraw/zinc/12/40/52/1062124052.db2.gz FVKNKPVZKJTBEW-LBPRGKRZSA-N 0 1 307.743 4.208 20 10 DICDMN Cc1cc(O)c(CN2CC[C@@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001474474320 1062155649 /nfs/dbraw/zinc/15/56/49/1062155649.db2.gz GGLPHTKVIXULMR-SFHVURJKSA-N 0 1 319.807 4.425 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001474474320 1062155658 /nfs/dbraw/zinc/15/56/58/1062155658.db2.gz GGLPHTKVIXULMR-SFHVURJKSA-N 0 1 319.807 4.425 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c(Cl)c1 ZINC001474474320 1062155666 /nfs/dbraw/zinc/15/56/66/1062155666.db2.gz GGLPHTKVIXULMR-SFHVURJKSA-N 0 1 319.807 4.425 20 10 DICDMN C[C@@H](c1ccccc1)[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC001474515360 1062198098 /nfs/dbraw/zinc/19/80/98/1062198098.db2.gz CYNOSVRAKDALSV-LBPRGKRZSA-N 0 1 303.352 4.396 20 10 DICDMN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CCCC1 ZINC001474517354 1062201162 /nfs/dbraw/zinc/20/11/62/1062201162.db2.gz SHKXJHPEVSQOSU-UHFFFAOYSA-N 0 1 312.251 4.228 20 10 DICDMN CC[N@H+](CC1=CCCC1)Cc1cc(Br)ccc1[O-] ZINC001459582047 1062226623 /nfs/dbraw/zinc/22/66/23/1062226623.db2.gz XPZKORRDIHLMRI-UHFFFAOYSA-N 0 1 310.235 4.087 20 10 DICDMN CC[N@@H+](CC1=CCCC1)Cc1cc(Br)ccc1[O-] ZINC001459582047 1062226653 /nfs/dbraw/zinc/22/66/53/1062226653.db2.gz XPZKORRDIHLMRI-UHFFFAOYSA-N 0 1 310.235 4.087 20 10 DICDMN COC[C@H](N[C@H]1C[C@H](C)c2c1c(O)ccc2C)c1ccc(C)o1 ZINC001254721948 1062242334 /nfs/dbraw/zinc/24/23/34/1062242334.db2.gz XBRISWFGCYHALY-QEJZJMRPSA-N 0 1 315.413 4.128 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001474552304 1062249631 /nfs/dbraw/zinc/24/96/31/1062249631.db2.gz FSYPXZBGWZLTFD-SFHVURJKSA-N 0 1 315.363 4.398 20 10 DICDMN CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC001474608813 1062321063 /nfs/dbraw/zinc/32/10/63/1062321063.db2.gz JUYABYCVRZWZFT-LSDHHAIUSA-N 0 1 311.853 4.117 20 10 DICDMN C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001474608576 1062322204 /nfs/dbraw/zinc/32/22/04/1062322204.db2.gz GWJFJDNNJULDOV-LBPRGKRZSA-N 0 1 307.796 4.296 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001474644118 1062365770 /nfs/dbraw/zinc/36/57/70/1062365770.db2.gz JUIGATLBINDIQH-CQSZACIVSA-N 0 1 309.400 4.463 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001474644117 1062366072 /nfs/dbraw/zinc/36/60/72/1062366072.db2.gz JUIGATLBINDIQH-AWEZNQCLSA-N 0 1 309.400 4.463 20 10 DICDMN CC[N@H+](Cc1ccccc1[O-])C1CCC(C(F)(F)F)CC1 ZINC001255521008 1062473321 /nfs/dbraw/zinc/47/33/21/1062473321.db2.gz QFBZFPLZMKKLHO-UHFFFAOYSA-N 0 1 301.352 4.335 20 10 DICDMN CC[N@@H+](Cc1ccccc1[O-])C1CCC(C(F)(F)F)CC1 ZINC001255521008 1062473333 /nfs/dbraw/zinc/47/33/33/1062473333.db2.gz QFBZFPLZMKKLHO-UHFFFAOYSA-N 0 1 301.352 4.335 20 10 DICDMN C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001255864137 1062641057 /nfs/dbraw/zinc/64/10/57/1062641057.db2.gz WSUVTLVICICTRM-AWEZNQCLSA-N 0 1 309.384 4.405 20 10 DICDMN COc1cccc(C[C@@H](C)[NH2+]Cc2cc3ccccc3cc2[O-])c1 ZINC001256153628 1062731663 /nfs/dbraw/zinc/73/16/63/1062731663.db2.gz JRPHCZJQSKCFTM-OAHLLOKOSA-N 0 1 321.420 4.275 20 10 DICDMN C[C@@H](NCc1csc(Cc2ccccc2)n1)c1ccccc1O ZINC001460634481 1062954428 /nfs/dbraw/zinc/95/44/28/1062954428.db2.gz COMMTLCALLUPAI-CQSZACIVSA-N 0 1 324.449 4.290 20 10 DICDMN CC[C@H](C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC001472600225 1063106541 /nfs/dbraw/zinc/10/65/41/1063106541.db2.gz SWBMKVBDFATLKL-JTQLQIEISA-N 0 1 303.333 4.003 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCCc2ccccc2)c(Cl)c1 ZINC001461014484 1063188094 /nfs/dbraw/zinc/18/80/94/1063188094.db2.gz BBLLBAYZUSXOHL-UHFFFAOYSA-N 0 1 303.833 4.467 20 10 DICDMN CCCC(CCC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001257333295 1063214434 /nfs/dbraw/zinc/21/44/34/1063214434.db2.gz NCZDPNVMAOSJIB-UHFFFAOYSA-N 0 1 300.240 4.213 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CCCC[C@H]2C)c(Cl)c1 ZINC001461053842 1063222507 /nfs/dbraw/zinc/22/25/07/1063222507.db2.gz PITWCFYQFLMSHJ-DYVFJYSZSA-N 0 1 311.853 4.039 20 10 DICDMN Oc1ccc(Cl)c(F)c1CNc1cc2c(cn1)CCCC2 ZINC001461541773 1063569996 /nfs/dbraw/zinc/56/99/96/1063569996.db2.gz RRAXENPZIQCFBQ-UHFFFAOYSA-N 0 1 306.768 4.071 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3ncccc23)c(Cl)c1 ZINC001461733465 1063685929 /nfs/dbraw/zinc/68/59/29/1063685929.db2.gz DPBXVRWMBSGKCY-UHFFFAOYSA-N 0 1 312.800 4.192 20 10 DICDMN Cn1nc(NCc2cc(Cl)cc(Cl)c2O)c2ccccc21 ZINC001461813389 1063732389 /nfs/dbraw/zinc/73/23/89/1063732389.db2.gz BVJTWWJNGHOTEN-UHFFFAOYSA-N 0 1 322.195 4.198 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC001461873780 1063763024 /nfs/dbraw/zinc/76/30/24/1063763024.db2.gz QHRLUAQQKLBDDP-OAHLLOKOSA-N 0 1 307.340 4.381 20 10 DICDMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001461890825 1063779899 /nfs/dbraw/zinc/77/98/99/1063779899.db2.gz WQQOJDQWRRPMOT-LLVKDONJSA-N 0 1 314.267 4.331 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC001461904249 1063789906 /nfs/dbraw/zinc/78/99/06/1063789906.db2.gz SYRDTTXLCVLCJN-OCCSQVGLSA-N 0 1 315.841 4.045 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCCc2ccccc2)c(Cl)c1 ZINC001461927827 1063811317 /nfs/dbraw/zinc/81/13/17/1063811317.db2.gz SMZUBVWSRWLSHG-UHFFFAOYSA-N 0 1 303.833 4.419 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCCc2ccccc2)c(Cl)c1 ZINC001461927827 1063811329 /nfs/dbraw/zinc/81/13/29/1063811329.db2.gz SMZUBVWSRWLSHG-UHFFFAOYSA-N 0 1 303.833 4.419 20 10 DICDMN CCCN(Cc1ccc(F)cc1F)Cc1cc(F)ccc1O ZINC001461967575 1063844215 /nfs/dbraw/zinc/84/42/15/1063844215.db2.gz COZJBJXOMCFYEB-UHFFFAOYSA-N 0 1 309.331 4.222 20 10 DICDMN CS[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)(C)C ZINC001462081686 1063919202 /nfs/dbraw/zinc/91/92/02/1063919202.db2.gz BBIHLXJZGVLPBH-AWEZNQCLSA-N 0 1 301.883 4.221 20 10 DICDMN CN(C)c1cc(F)c(CN[C@H]2CCCc3sccc32)cc1F ZINC001261814279 1063946978 /nfs/dbraw/zinc/94/69/78/1063946978.db2.gz WNFVPHNUXKBMCI-HNNXBMFYSA-N 0 1 322.424 4.260 20 10 DICDMN CCCCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC001298841284 1065024442 /nfs/dbraw/zinc/02/44/42/1065024442.db2.gz MZFLTRYBKRXPDO-UHFFFAOYSA-N 0 1 316.228 4.286 20 10 DICDMN Cc1ccc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)nc1 ZINC001307795882 1065626464 /nfs/dbraw/zinc/62/64/64/1065626464.db2.gz PDUOYNWSIIMUQB-UHFFFAOYSA-N 0 1 323.484 4.321 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1[O-] ZINC001307947412 1065695101 /nfs/dbraw/zinc/69/51/01/1065695101.db2.gz QTIDDDXRROBCRR-CQSZACIVSA-N 0 1 321.848 4.260 20 10 DICDMN CCCOc1ccc(CNCc2ccc(C)nc2Cl)cc1C ZINC001308503788 1066032489 /nfs/dbraw/zinc/03/24/89/1066032489.db2.gz BAYREIIQLZDGNQ-UHFFFAOYSA-N 0 1 318.848 4.430 20 10 DICDMN C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308563828 1066071901 /nfs/dbraw/zinc/07/19/01/1066071901.db2.gz CUAPVNYMOQRIQN-UKRRQHHQSA-N 0 1 317.379 4.124 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@H]1c1ccccc1 ZINC001308564006 1066072973 /nfs/dbraw/zinc/07/29/73/1066072973.db2.gz CKHYIKJFBYVRQI-CJNGLKHVSA-N 0 1 317.379 4.296 20 10 DICDMN C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308563827 1066073758 /nfs/dbraw/zinc/07/37/58/1066073758.db2.gz CUAPVNYMOQRIQN-HIFRSBDPSA-N 0 1 317.379 4.124 20 10 DICDMN CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001308567296 1066075242 /nfs/dbraw/zinc/07/52/42/1066075242.db2.gz JTIOOXSPRKOCLU-QGZVFWFLSA-N 0 1 305.368 4.500 20 10 DICDMN Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308572873 1066084325 /nfs/dbraw/zinc/08/43/25/1066084325.db2.gz FECFRQVAWISRLK-CYBMUJFWSA-N 0 1 305.368 4.042 20 10 DICDMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607505 1066114334 /nfs/dbraw/zinc/11/43/34/1066114334.db2.gz MXLKAADYTBMTDW-IAGOWNOFSA-N 0 1 323.864 4.134 20 10 DICDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607505 1066114338 /nfs/dbraw/zinc/11/43/38/1066114338.db2.gz MXLKAADYTBMTDW-IAGOWNOFSA-N 0 1 323.864 4.134 20 10 DICDMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607507 1066115043 /nfs/dbraw/zinc/11/50/43/1066115043.db2.gz MXLKAADYTBMTDW-SJORKVTESA-N 0 1 323.864 4.134 20 10 DICDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607507 1066115046 /nfs/dbraw/zinc/11/50/46/1066115046.db2.gz MXLKAADYTBMTDW-SJORKVTESA-N 0 1 323.864 4.134 20 10 DICDMN Cc1ccc(CN(Cc2ccco2)Cc2ccccc2)c(O)c1 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CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccccc2)c1O ZINC000748050996 1042031075 /nfs/dbraw/zinc/03/10/75/1042031075.db2.gz LVZJDWKPHVFJOD-SFHVURJKSA-N 0 1 313.372 4.071 20 10 DICDMN CN(Cc1ccc(F)cc1F)Cc1ccc2ccccc2c1O ZINC000816484213 1042055366 /nfs/dbraw/zinc/05/53/66/1042055366.db2.gz UIXAXKHDGNZDLP-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000816496273 1042057840 /nfs/dbraw/zinc/05/78/40/1042057840.db2.gz CTTJWFSAYXTDRY-INIZCTEOSA-N 0 1 321.779 4.227 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](C)c1cccc(O)c1 ZINC000816493396 1042058051 /nfs/dbraw/zinc/05/80/51/1042058051.db2.gz ZKEWFYVXXBLBOR-NSHDSACASA-N 0 1 323.795 4.473 20 10 DICDMN COc1ccccc1CC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816504254 1042060012 /nfs/dbraw/zinc/06/00/12/1042060012.db2.gz FPKOVRUPOUPDRP-UHFFFAOYSA-N 0 1 321.420 4.229 20 10 DICDMN COc1ccccc1CC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816504254 1042060015 /nfs/dbraw/zinc/06/00/15/1042060015.db2.gz 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ZINC000816591057 1042067104 /nfs/dbraw/zinc/06/71/04/1042067104.db2.gz SRBHTEXUVOKZPS-UHFFFAOYSA-N 0 1 322.364 4.052 20 10 DICDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c(C)c1 ZINC000816558445 1042067239 /nfs/dbraw/zinc/06/72/39/1042067239.db2.gz YZFDPCNDAUZUTE-UHFFFAOYSA-N 0 1 307.393 4.152 20 10 DICDMN CCO[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816593430 1042067353 /nfs/dbraw/zinc/06/73/53/1042067353.db2.gz RRGKMDVLACKHET-HXUWFJFHSA-N 0 1 321.420 4.413 20 10 DICDMN [O-]c1c(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)ccc2ccccc21 ZINC000816556148 1042067514 /nfs/dbraw/zinc/06/75/14/1042067514.db2.gz BIPLTKWUDXHWDB-HBMCJLEFSA-N 0 1 315.416 4.221 20 10 DICDMN [O-]c1c(C[NH2+][C@H]2CCOC3(CCCC3)C2)ccc2ccccc21 ZINC000816556440 1042067794 /nfs/dbraw/zinc/06/77/94/1042067794.db2.gz IXHCVOJUFFEPHE-KRWDZBQOSA-N 0 1 311.425 4.127 20 10 DICDMN CS[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(C)(C)C ZINC000816567577 1042068508 /nfs/dbraw/zinc/06/85/08/1042068508.db2.gz GBELSLIZLKTDBY-INIZCTEOSA-N 0 1 303.471 4.413 20 10 DICDMN CS[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(C)(C)C ZINC000816567578 1042068913 /nfs/dbraw/zinc/06/89/13/1042068913.db2.gz GBELSLIZLKTDBY-MRXNPFEDSA-N 0 1 303.471 4.413 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C)c1cccnc1 ZINC000816612158 1042073193 /nfs/dbraw/zinc/07/31/93/1042073193.db2.gz IAFLEIPAYHDRRK-LLVKDONJSA-N 0 1 308.784 4.163 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)c(F)cc2O)[C@@H]1c1ccncc1 ZINC000816621415 1042074538 /nfs/dbraw/zinc/07/45/38/1042074538.db2.gz HQKJRSIAOCEVMO-MRXNPFEDSA-N 0 1 320.795 4.163 20 10 DICDMN COc1cc(Cl)ccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000817574489 1042114996 /nfs/dbraw/zinc/11/49/96/1042114996.db2.gz OVPIRDDSLXWVGP-GFCCVEGCSA-N 0 1 317.816 4.134 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(Cl)ccc1[O-] ZINC000817588072 1042119991 /nfs/dbraw/zinc/11/99/91/1042119991.db2.gz BRXNSOBWQCQDFQ-VXGBXAGGSA-N 0 1 311.878 4.230 20 10 DICDMN C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(Cl)ccc1[O-] ZINC000817974511 1042135047 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ZINC000271890431 1042671737 /nfs/dbraw/zinc/67/17/37/1042671737.db2.gz RWXAAZUHBSEUAP-UHFFFAOYSA-N 0 1 322.861 4.288 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000126439906 1042770747 /nfs/dbraw/zinc/77/07/47/1042770747.db2.gz JCZSPBUILCFMDT-UHFFFAOYSA-N 0 1 323.864 4.359 20 10 DICDMN CC(C)[C@@H](NCc1ccc2c(c1)CCO2)c1cc(F)ccc1F ZINC000794802783 1043049979 /nfs/dbraw/zinc/04/99/79/1043049979.db2.gz GQJHUUHJGSPHFW-LJQANCHMSA-N 0 1 317.379 4.387 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc2ccccc2n1 ZINC000178188245 1043123569 /nfs/dbraw/zinc/12/35/69/1043123569.db2.gz UQCOZFSMOPMVLJ-CQSZACIVSA-N 0 1 323.415 4.291 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1F ZINC000184927543 1043192459 /nfs/dbraw/zinc/19/24/59/1043192459.db2.gz GEWDGFQPKPPUCO-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000185045984 1043194073 /nfs/dbraw/zinc/19/40/73/1043194073.db2.gz SHLOVMFHVOTINE-LBPRGKRZSA-N 0 1 320.820 4.079 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000185149585 1043197420 /nfs/dbraw/zinc/19/74/20/1043197420.db2.gz GJDNMHONKAVWLU-MNOVXSKESA-N 0 1 320.776 4.366 20 10 DICDMN Cc1ccc(O)c([C@@H](C)N[C@H](COCC(C)C)c2ccco2)c1 ZINC000185288905 1043197949 /nfs/dbraw/zinc/19/79/49/1043197949.db2.gz YFDCKDOEXJVZGE-NVXWUHKLSA-N 0 1 317.429 4.358 20 10 DICDMN CC(C)COC[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185289428 1043199360 /nfs/dbraw/zinc/19/93/60/1043199360.db2.gz WDGHPQQIMQDJNJ-BBRMVZONSA-N 0 1 321.392 4.189 20 10 DICDMN C[C@H](NCc1nc(C(C)(C)C)cs1)c1cc(F)ccc1O ZINC000185374549 1043199871 /nfs/dbraw/zinc/19/98/71/1043199871.db2.gz MOQIZPARAFBVMS-JTQLQIEISA-N 0 1 308.422 4.136 20 10 DICDMN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2c1[O-] ZINC000185534585 1043202072 /nfs/dbraw/zinc/20/20/72/1043202072.db2.gz OZOCHSPZXRTBGP-MNXTYGCHSA-N 0 1 311.425 4.010 20 10 DICDMN CCC(CC)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)on1 ZINC000185561884 1043204639 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C[C@H](NCc1ncc(Cl)s1)c1cc2c(cc1O)CCCC2 ZINC000872117016 1043465352 /nfs/dbraw/zinc/46/53/52/1043465352.db2.gz WWNCPADGIWVSFA-JTQLQIEISA-N 0 1 322.861 4.232 20 10 DICDMN Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000872134641 1043475870 /nfs/dbraw/zinc/47/58/70/1043475870.db2.gz SWPPLQPOGBRYSL-TZMCWYRMSA-N 0 1 307.397 4.056 20 10 DICDMN CCCOc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1C ZINC000873049304 1043513623 /nfs/dbraw/zinc/51/36/23/1043513623.db2.gz FPMKBITVFICMAV-ZDUSSCGKSA-N 0 1 302.418 4.239 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000926949878 1043661655 /nfs/dbraw/zinc/66/16/55/1043661655.db2.gz OTMXRMGOULKHBY-IFUGULHKSA-N 0 1 309.331 4.394 20 10 DICDMN CC(C)[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1cnn(C)c1 ZINC000927067778 1043680449 /nfs/dbraw/zinc/68/04/49/1043680449.db2.gz GRTXCPJRTJFFIW-AUUYWEPGSA-N 0 1 323.440 4.327 20 10 DICDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H](C)c1cccnc1 ZINC000825935518 1043747452 /nfs/dbraw/zinc/74/74/52/1043747452.db2.gz WRXGJJVCTXTXGU-CYBMUJFWSA-N 0 1 304.821 4.332 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H](C)c1cccnc1 ZINC000825935518 1043747463 /nfs/dbraw/zinc/74/74/63/1043747463.db2.gz WRXGJJVCTXTXGU-CYBMUJFWSA-N 0 1 304.821 4.332 20 10 DICDMN CCCCN(Cc1nc2c(o1)CCCC2)Cc1ccccc1O ZINC000878565111 1043903682 /nfs/dbraw/zinc/90/36/82/1043903682.db2.gz IKNUNGJPUMNTDI-UHFFFAOYSA-N 0 1 314.429 4.061 20 10 DICDMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792705 1044256078 /nfs/dbraw/zinc/25/60/78/1044256078.db2.gz IOJMYMNCOWWDDZ-MWLCHTKSSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000780792705 1044256093 /nfs/dbraw/zinc/25/60/93/1044256093.db2.gz IOJMYMNCOWWDDZ-MWLCHTKSSA-N 0 1 307.743 4.208 20 10 DICDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c(Cl)n1 ZINC000883301696 1044263815 /nfs/dbraw/zinc/26/38/15/1044263815.db2.gz GXCOLFHBTKVMCK-JTQLQIEISA-N 0 1 311.212 4.253 20 10 DICDMN CCOc1cccc(CN(C)[C@@H](C)c2cc(F)ccc2F)c1O ZINC000131568619 1044279921 /nfs/dbraw/zinc/27/99/21/1044279921.db2.gz YIBZHZVYUYOOGF-LBPRGKRZSA-N 0 1 321.367 4.262 20 10 DICDMN CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000293655286 1044309663 /nfs/dbraw/zinc/30/96/63/1044309663.db2.gz LNDFIDDRFJJKJA-SNVBAGLBSA-N 0 1 308.809 4.145 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000840836499 1044357608 /nfs/dbraw/zinc/35/76/08/1044357608.db2.gz ZEXRLHCGMNMQLQ-SMDDNHRTSA-N 0 1 319.367 4.124 20 10 DICDMN C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1O ZINC000361292549 1044385112 /nfs/dbraw/zinc/38/51/12/1044385112.db2.gz HCOZALBJTNTBJX-QRWLVFNGSA-N 0 1 304.393 4.227 20 10 DICDMN Oc1ccc(F)cc1CNCc1c(Cl)cccc1Cl ZINC000696874248 1044388894 /nfs/dbraw/zinc/38/88/94/1044388894.db2.gz QUXKVCHPCNXRRE-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc2ccccc2c1[O-] ZINC000156318582 1044790604 /nfs/dbraw/zinc/79/06/04/1044790604.db2.gz HZFQHYAWYQNPHN-UKRRQHHQSA-N 0 1 301.455 4.482 20 10 DICDMN Cc1csc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000126271611 1044812050 /nfs/dbraw/zinc/81/20/50/1044812050.db2.gz RQEXUUGDPKWAHH-HNNXBMFYSA-N 0 1 315.486 4.293 20 10 DICDMN Oc1ccc2ccncc2c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000887563152 1044856723 /nfs/dbraw/zinc/85/67/23/1044856723.db2.gz LTDUAWDGSZVSMA-UHFFFAOYSA-N 0 1 304.393 4.105 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+](Cc1ccccc1)C1CC1 ZINC000887563152 1044856741 /nfs/dbraw/zinc/85/67/41/1044856741.db2.gz LTDUAWDGSZVSMA-UHFFFAOYSA-N 0 1 304.393 4.105 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000887563152 1044856760 /nfs/dbraw/zinc/85/67/60/1044856760.db2.gz LTDUAWDGSZVSMA-UHFFFAOYSA-N 0 1 304.393 4.105 20 10 DICDMN CCN(Cc1ccccc1O)Cc1ccccc1Br ZINC000778996605 1045111489 /nfs/dbraw/zinc/11/14/89/1045111489.db2.gz RTLILHJNQHVYQS-UHFFFAOYSA-N 0 1 320.230 4.177 20 10 DICDMN CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000778996541 1045111645 /nfs/dbraw/zinc/11/16/45/1045111645.db2.gz PSNWKQPFNXQRKQ-UHFFFAOYSA-N 0 1 309.331 4.433 20 10 DICDMN COc1ccc(C)nc1NCc1cc(Cl)cc(Cl)c1O ZINC000777504719 1045159460 /nfs/dbraw/zinc/15/94/60/1045159460.db2.gz FKGCQMZCRMNCQX-UHFFFAOYSA-N 0 1 313.184 4.023 20 10 DICDMN CCCc1nnc(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000777508764 1045163073 /nfs/dbraw/zinc/16/30/73/1045163073.db2.gz PXSXQVKQBREQFM-UHFFFAOYSA-N 0 1 318.229 4.115 20 10 DICDMN CC(C)c1cc(NCc2cc(Cl)cc(Cl)c2O)no1 ZINC000777520130 1045165621 /nfs/dbraw/zinc/16/56/21/1045165621.db2.gz XWBLCEBWZMPMSA-UHFFFAOYSA-N 0 1 301.173 4.423 20 10 DICDMN CC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000779044518 1045198523 /nfs/dbraw/zinc/19/85/23/1045198523.db2.gz XENMDLPGPKQCDX-KRWDZBQOSA-N 0 1 304.384 4.272 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000528005408 1045293182 /nfs/dbraw/zinc/29/31/82/1045293182.db2.gz ZXFRWXJLEAEZKK-CRAIPNDOSA-N 0 1 324.468 4.213 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1ccnn1C1CCCC1 ZINC000449292561 1045374682 /nfs/dbraw/zinc/37/46/82/1045374682.db2.gz DJZXTRUIZGFBKG-UHFFFAOYSA-N 0 1 322.456 4.088 20 10 DICDMN Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[O-])sc1C ZINC000076904677 1045377002 /nfs/dbraw/zinc/37/70/02/1045377002.db2.gz VIYOWXFWNZDGSW-UHFFFAOYSA-N 0 1 310.850 4.144 20 10 DICDMN Cc1c2ccccc2oc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000115620252 1045572820 /nfs/dbraw/zinc/57/28/20/1045572820.db2.gz XXOXKAYFFSHFQD-UHFFFAOYSA-N 0 1 301.773 4.390 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000800494526 1045632503 /nfs/dbraw/zinc/63/25/03/1045632503.db2.gz XETVRVPVUXPUMG-NQBHXWOUSA-N 0 1 313.363 4.495 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000800498482 1045635360 /nfs/dbraw/zinc/63/53/60/1045635360.db2.gz LCOLAJUTHTUITC-RDJZCZTQSA-N 0 1 323.864 4.436 20 10 DICDMN Oc1ccc(-c2ccccc2)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000783674202 1045641202 /nfs/dbraw/zinc/64/12/02/1045641202.db2.gz VRVXJKUTYLBKIT-GOSISDBHSA-N 0 1 319.408 4.119 20 10 DICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1Cl ZINC000752939841 1045716757 /nfs/dbraw/zinc/71/67/57/1045716757.db2.gz JMHPMDFBHQBEAT-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN C[C@H](NCc1ccc(Cl)nc1Cl)c1ccc(N(C)C)cc1 ZINC000801544232 1045735915 /nfs/dbraw/zinc/73/59/15/1045735915.db2.gz DNPJGNHDOIRCHL-NSHDSACASA-N 0 1 324.255 4.305 20 10 DICDMN CCCCN(Cc1ncc(C2CC2)o1)Cc1ccccc1O ZINC000801594836 1045749754 /nfs/dbraw/zinc/74/97/54/1045749754.db2.gz ADUABVJWRHMRLP-UHFFFAOYSA-N 0 1 300.402 4.060 20 10 DICDMN CCCCN(Cc1ncc(C(C)C)o1)Cc1ccccc1O ZINC000801599687 1045753135 /nfs/dbraw/zinc/75/31/35/1045753135.db2.gz ZEPSEZVFKSLMMO-UHFFFAOYSA-N 0 1 302.418 4.306 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001137837810 1045979131 /nfs/dbraw/zinc/97/91/31/1045979131.db2.gz VORPPOZTYWZNMB-LBPRGKRZSA-N 0 1 305.780 4.174 20 10 DICDMN CCOc1ccc([C@H]2CCC[N@H+]2Cc2c([O-])cccc2F)cc1 ZINC001137839239 1045979375 /nfs/dbraw/zinc/97/93/75/1045979375.db2.gz XXOXXDWJOQCDMA-GOSISDBHSA-N 0 1 315.388 4.267 20 10 DICDMN Cc1cc(CN2CCc3cnccc3C2)c(C)n1-c1ccccc1 ZINC001137853982 1045986044 /nfs/dbraw/zinc/98/60/44/1045986044.db2.gz CVUDDBSFTJTMJK-UHFFFAOYSA-N 0 1 317.436 4.047 20 10 DICDMN CCN(CC)c1ccc(CNC(C)(C)c2ncc(C)s2)cc1 ZINC000080346437 1046025845 /nfs/dbraw/zinc/02/58/45/1046025845.db2.gz PHOOAIFUVOYWOZ-UHFFFAOYSA-N 0 1 317.502 4.323 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](CC)C1 ZINC000802657333 1046026049 /nfs/dbraw/zinc/02/60/49/1046026049.db2.gz AZWFZXSEPHCROZ-WMZOPIPTSA-N 0 1 305.462 4.200 20 10 DICDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](CC)C1 ZINC000802657333 1046026066 /nfs/dbraw/zinc/02/60/66/1046026066.db2.gz AZWFZXSEPHCROZ-WMZOPIPTSA-N 0 1 305.462 4.200 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000755928772 1046030965 /nfs/dbraw/zinc/03/09/65/1046030965.db2.gz ZMDDCSWZCWHNTB-INIZCTEOSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000755928772 1046030978 /nfs/dbraw/zinc/03/09/78/1046030978.db2.gz ZMDDCSWZCWHNTB-INIZCTEOSA-N 0 1 322.383 4.069 20 10 DICDMN C[C@H]([NH2+]CCc1ccccc1)c1ccc(Br)cc1[O-] ZINC000756354940 1046067517 /nfs/dbraw/zinc/06/75/17/1046067517.db2.gz LISHXHXSQVEOJB-LBPRGKRZSA-N 0 1 320.230 4.048 20 10 DICDMN C[C@@H]([NH2+]CCCOC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756361441 1046070722 /nfs/dbraw/zinc/07/07/22/1046070722.db2.gz ZICUMABRYKNRPD-CYBMUJFWSA-N 0 1 311.853 4.436 20 10 DICDMN C[C@@H]([NH2+]CCCOc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756365241 1046071151 /nfs/dbraw/zinc/07/11/51/1046071151.db2.gz OIBOAWVTOVTFAG-CYBMUJFWSA-N 0 1 305.805 4.165 20 10 DICDMN C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756369203 1046072477 /nfs/dbraw/zinc/07/24/77/1046072477.db2.gz BBZRPBURJPVIBV-IAQYHMDHSA-N 0 1 324.877 4.061 20 10 DICDMN CC[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCCC1 ZINC000756399253 1046076916 /nfs/dbraw/zinc/07/69/16/1046076916.db2.gz AGRKYPKFOCRVCV-NVXWUHKLSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000756440757 1046082827 /nfs/dbraw/zinc/08/28/27/1046082827.db2.gz GTFVWINQHXGNLV-MLGOLLRUSA-N 0 1 321.852 4.008 20 10 DICDMN C[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1C(F)(F)F ZINC001138093796 1046089486 /nfs/dbraw/zinc/08/94/86/1046089486.db2.gz KJWSNHABPJOEDP-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756494875 1046091295 /nfs/dbraw/zinc/09/12/95/1046091295.db2.gz OXIAGLCNMOPXDN-CHWSQXEVSA-N 0 1 305.805 4.164 20 10 DICDMN C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc2ccccc2c1[O-] ZINC000756532691 1046097042 /nfs/dbraw/zinc/09/70/42/1046097042.db2.gz GNGQZTWWLBXCKG-HNNXBMFYSA-N 0 1 320.436 4.462 20 10 DICDMN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756534364 1046097294 /nfs/dbraw/zinc/09/72/94/1046097294.db2.gz KHJCSEUNHQWUCA-STQMWFEESA-N 0 1 319.832 4.423 20 10 DICDMN CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000756572558 1046102097 /nfs/dbraw/zinc/10/20/97/1046102097.db2.gz GPHVHWBQWUOETD-RYUDHWBXSA-N 0 1 307.825 4.235 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001138130720 1046104920 /nfs/dbraw/zinc/10/49/20/1046104920.db2.gz GGYYYVYKXGUJRH-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756605081 1046108244 /nfs/dbraw/zinc/10/82/44/1046108244.db2.gz QHQGSUAJYWOZCI-FOIQADDNSA-N 0 1 315.457 4.383 20 10 DICDMN C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])Oc1ccccc1F ZINC000756609744 1046110035 /nfs/dbraw/zinc/11/00/35/1046110035.db2.gz NGIFLBQEDUPTQT-VXGBXAGGSA-N 0 1 323.795 4.303 20 10 DICDMN Cc1cc(CN(C)Cc2ccccn2)ccc1N1CCCCC1 ZINC000831039322 1046114232 /nfs/dbraw/zinc/11/42/32/1046114232.db2.gz YXNNEYFRTRNQJW-UHFFFAOYSA-N 0 1 309.457 4.012 20 10 DICDMN C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756632986 1046114444 /nfs/dbraw/zinc/11/44/44/1046114444.db2.gz GJSQJJXJNLMZQC-HUUCEWRRSA-N 0 1 306.409 4.222 20 10 DICDMN C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CCCCC2)c2c1c(F)ccc2[O-] ZINC000756659878 1046117489 /nfs/dbraw/zinc/11/74/89/1046117489.db2.gz GZBDQLKKYZLPDZ-WQVCFCJDSA-N 0 1 321.436 4.001 20 10 DICDMN CCC1(O)CCC([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000756675430 1046120689 /nfs/dbraw/zinc/12/06/89/1046120689.db2.gz GJKNUDJLKXMWLS-GPWPYBQESA-N 0 1 313.441 4.280 20 10 DICDMN COc1cccc(C[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756706909 1046122531 /nfs/dbraw/zinc/12/25/31/1046122531.db2.gz ITUWPQGAMXZFLY-QWHCGFSZSA-N 0 1 319.832 4.336 20 10 DICDMN C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000756755600 1046126136 /nfs/dbraw/zinc/12/61/36/1046126136.db2.gz BGODSHPGSZNUOP-MLGOLLRUSA-N 0 1 311.853 4.292 20 10 DICDMN CCOCCC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000756762036 1046127545 /nfs/dbraw/zinc/12/75/45/1046127545.db2.gz VZYBMMZPPZLQAK-ZFWWWQNUSA-N 0 1 321.436 4.266 20 10 DICDMN C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cc(Cl)ccc1[O-] ZINC000756757921 1046127746 /nfs/dbraw/zinc/12/77/46/1046127746.db2.gz OULMZADTJZZVJX-XPTSAGLGSA-N 0 1 324.207 4.483 20 10 DICDMN C[C@H]1C[C@@H](NCc2nc(C3CC3)cs2)c2c1c(F)ccc2O ZINC000756758421 1046127985 /nfs/dbraw/zinc/12/79/85/1046127985.db2.gz FMYFARYPAUQWFK-JOYOIKCWSA-N 0 1 318.417 4.203 20 10 DICDMN C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000756761751 1046128002 /nfs/dbraw/zinc/12/80/02/1046128002.db2.gz UZWHRCLTCXAMHS-ZENOOKHLSA-N 0 1 311.853 4.028 20 10 DICDMN CCOCCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000756762031 1046128155 /nfs/dbraw/zinc/12/81/55/1046128155.db2.gz VZYBMMZPPZLQAK-HIFRSBDPSA-N 0 1 321.436 4.266 20 10 DICDMN COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756785026 1046133491 /nfs/dbraw/zinc/13/34/91/1046133491.db2.gz RRBBQKOINSTQRS-KGLIPLIRSA-N 0 1 317.404 4.069 20 10 DICDMN CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756786132 1046133961 /nfs/dbraw/zinc/13/39/61/1046133961.db2.gz JPPBUZRHKOVJIG-RYUDHWBXSA-N 0 1 304.821 4.415 20 10 DICDMN CCCCn1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c(C)n1 ZINC000756788466 1046135013 /nfs/dbraw/zinc/13/50/13/1046135013.db2.gz VESKWBAGDSLNPW-CYBMUJFWSA-N 0 1 321.852 4.201 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)NCc2nc3c(s2)CCC3)c1O ZINC000903190605 1046187903 /nfs/dbraw/zinc/18/79/03/1046187903.db2.gz BUIHXKIGWSEDKC-SNVBAGLBSA-N 0 1 322.861 4.150 20 10 DICDMN COc1ccc(Cl)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001138484249 1046196971 /nfs/dbraw/zinc/19/69/71/1046196971.db2.gz YWQKRBSBAGEZPD-UHFFFAOYSA-N 0 1 318.848 4.047 20 10 DICDMN C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc2ccccc2c1[O-] ZINC000321196600 1046213324 /nfs/dbraw/zinc/21/33/24/1046213324.db2.gz WTTZCRTZJQKCLP-MRXNPFEDSA-N 0 1 312.457 4.072 20 10 DICDMN C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc2ccccc2c1[O-] ZINC000903284044 1046222961 /nfs/dbraw/zinc/22/29/61/1046222961.db2.gz VBOGWKOFMRETAA-YHLAAPATSA-N 0 1 311.425 4.154 20 10 DICDMN C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903336090 1046248397 /nfs/dbraw/zinc/24/83/97/1046248397.db2.gz VWIIFCCVLQBSIG-GTNSWQLSSA-N 0 1 302.805 4.243 20 10 DICDMN C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903429108 1046277275 /nfs/dbraw/zinc/27/72/75/1046277275.db2.gz RUKIZOIQFCCESI-PIGZYNQJSA-N 0 1 302.805 4.243 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2cnc(C)s2)cc1F ZINC000090409035 1046366750 /nfs/dbraw/zinc/36/67/50/1046366750.db2.gz LJUKUHCZAOJRBV-LBPRGKRZSA-N 0 1 321.465 4.288 20 10 DICDMN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000247054229 1046454887 /nfs/dbraw/zinc/45/48/87/1046454887.db2.gz VIGDKOIIMRCCRR-RHSMWYFYSA-N 0 1 317.454 4.033 20 10 DICDMN Cc1cccc(C[N@@H+](Cc2c(F)ccc(F)c2[O-])C2CC2)c1C ZINC001139688002 1046498359 /nfs/dbraw/zinc/49/83/59/1046498359.db2.gz VHOWIQZEVDRPKO-UHFFFAOYSA-N 0 1 317.379 4.452 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001139689652 1046498395 /nfs/dbraw/zinc/49/83/95/1046498395.db2.gz JHBFWATYRODHEK-AWEZNQCLSA-N 0 1 321.342 4.017 20 10 DICDMN CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1c(F)ccc(F)c1[O-] ZINC001139687500 1046498801 /nfs/dbraw/zinc/49/88/01/1046498801.db2.gz NNXOVZCVBQIFDS-UHFFFAOYSA-N 0 1 305.368 4.309 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001139685679 1046499581 /nfs/dbraw/zinc/49/95/81/1046499581.db2.gz SQTQJBUPFBICCN-QGZVFWFLSA-N 0 1 303.352 4.398 20 10 DICDMN COc1cccc([C@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139686005 1046499683 /nfs/dbraw/zinc/49/96/83/1046499683.db2.gz JGYJMDZMSWMTER-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN CN1CCCc2cc(CNCc3ccc(Cl)cc3F)ccc21 ZINC000782523602 1046532348 /nfs/dbraw/zinc/53/23/48/1046532348.db2.gz BAEGSWQROMBXPI-UHFFFAOYSA-N 0 1 318.823 4.151 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001140058478 1046577337 /nfs/dbraw/zinc/57/73/37/1046577337.db2.gz CEPQFLUPEHBPRL-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN Oc1ccc(F)cc1CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001140055280 1046578850 /nfs/dbraw/zinc/57/88/50/1046578850.db2.gz PYIGTFZKXJXIOZ-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN Cc1cccc(CN(C)Cc2c(O)cccc2Br)c1 ZINC001140098957 1046587802 /nfs/dbraw/zinc/58/78/02/1046587802.db2.gz VAJIHYSBJRUDTP-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746272 1046606026 /nfs/dbraw/zinc/60/60/26/1046606026.db2.gz XGJYQVXABIHCQE-LBPRGKRZSA-N 0 1 305.805 4.295 20 10 DICDMN Cc1ccc(C)c(CN(CC(=O)c2ccccc2)C(C)C)c1O ZINC001140183379 1046609625 /nfs/dbraw/zinc/60/96/25/1046609625.db2.gz DNCCCDIMTYJARM-UHFFFAOYSA-N 0 1 311.425 4.102 20 10 DICDMN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000093453362 1046629892 /nfs/dbraw/zinc/62/98/92/1046629892.db2.gz ODTXTDCXIINXPP-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000093453362 1046629895 /nfs/dbraw/zinc/62/98/95/1046629895.db2.gz ODTXTDCXIINXPP-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2cccs2)CC1 ZINC001140345661 1046667871 /nfs/dbraw/zinc/66/78/71/1046667871.db2.gz XLXUCDAGQXQOLK-UHFFFAOYSA-N 0 1 307.846 4.487 20 10 DICDMN CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841762973 1046696155 /nfs/dbraw/zinc/69/61/55/1046696155.db2.gz LBHMKRJONVARIC-VXGBXAGGSA-N 0 1 307.825 4.235 20 10 DICDMN Cc1cccnc1CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834882488 1046696962 /nfs/dbraw/zinc/69/69/62/1046696962.db2.gz BFSJXGLJCWYDFY-CYBMUJFWSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834882267 1046697192 /nfs/dbraw/zinc/69/71/92/1046697192.db2.gz IFVYJXKNNGHSSV-CZUORRHYSA-N 0 1 323.864 4.436 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cc(Cl)ccc1[O-] ZINC000834902140 1046714020 /nfs/dbraw/zinc/71/40/20/1046714020.db2.gz DUEIYPKGWSEGHI-NHYWBVRUSA-N 0 1 307.825 4.064 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cc(Cl)ccc1[O-] ZINC000834902141 1046714283 /nfs/dbraw/zinc/71/42/83/1046714283.db2.gz DUEIYPKGWSEGHI-XHDPSFHLSA-N 0 1 307.825 4.064 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000834908621 1046717815 /nfs/dbraw/zinc/71/78/15/1046717815.db2.gz GTVXEOMJUMBOLU-CHWSQXEVSA-N 0 1 311.853 4.210 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1[O-] ZINC000834908625 1046718192 /nfs/dbraw/zinc/71/81/92/1046718192.db2.gz GTVXEOMJUMBOLU-OLZOCXBDSA-N 0 1 311.853 4.210 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001140467228 1046737958 /nfs/dbraw/zinc/73/79/58/1046737958.db2.gz QOAQYRWEOHDPGS-UHFFFAOYSA-N 0 1 305.849 4.446 20 10 DICDMN Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])cn1 ZINC001140465160 1046738035 /nfs/dbraw/zinc/73/80/35/1046738035.db2.gz HROBTNMCVORJCS-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])cn1 ZINC001140465160 1046738041 /nfs/dbraw/zinc/73/80/41/1046738041.db2.gz HROBTNMCVORJCS-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466454 1046738339 /nfs/dbraw/zinc/73/83/39/1046738339.db2.gz GDRPVYLFESUPIH-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466454 1046738357 /nfs/dbraw/zinc/73/83/57/1046738357.db2.gz GDRPVYLFESUPIH-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])cc1 ZINC001140466624 1046739437 /nfs/dbraw/zinc/73/94/37/1046739437.db2.gz ILUDCZGQKDDEBQ-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[O-])cc1 ZINC001140466624 1046739451 /nfs/dbraw/zinc/73/94/51/1046739451.db2.gz ILUDCZGQKDDEBQ-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc21 ZINC000835024263 1046743181 /nfs/dbraw/zinc/74/31/81/1046743181.db2.gz ISBHVFCVFOCPTO-AWEZNQCLSA-N 0 1 304.393 4.060 20 10 DICDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc21 ZINC000835024263 1046743195 /nfs/dbraw/zinc/74/31/95/1046743195.db2.gz ISBHVFCVFOCPTO-AWEZNQCLSA-N 0 1 304.393 4.060 20 10 DICDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc21 ZINC000835024263 1046743207 /nfs/dbraw/zinc/74/32/07/1046743207.db2.gz ISBHVFCVFOCPTO-AWEZNQCLSA-N 0 1 304.393 4.060 20 10 DICDMN Cc1cnc(C(C)(C)NC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835043557 1046747615 /nfs/dbraw/zinc/74/76/15/1046747615.db2.gz RXNBDHSEGCTHSM-VOTSOKGWSA-N 0 1 315.486 4.056 20 10 DICDMN CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H](C)c1cccnc1 ZINC000835053893 1046751500 /nfs/dbraw/zinc/75/15/00/1046751500.db2.gz PZRCVHVVFDVSAQ-OZSKJFCKSA-N 0 1 309.457 4.244 20 10 DICDMN Cc1cccc(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000797020515 1046773652 /nfs/dbraw/zinc/77/36/52/1046773652.db2.gz ZOESUHDDHFMIAA-ZDUSSCGKSA-N 0 1 304.821 4.032 20 10 DICDMN Cc1ccc(O)c(CN2CCSC[C@H]2c2ccc(F)cc2)c1 ZINC001140623352 1046817611 /nfs/dbraw/zinc/81/76/11/1046817611.db2.gz OKWXJFNFLJPTJJ-KRWDZBQOSA-N 0 1 317.429 4.130 20 10 DICDMN c1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)co1 ZINC000796275113 1046823485 /nfs/dbraw/zinc/82/34/85/1046823485.db2.gz FKZCIWQBQOFKIW-UHFFFAOYSA-N 0 1 318.420 4.132 20 10 DICDMN CN(Cc1ccccc1O)Cc1c(Cl)ncc2ccccc21 ZINC001140723922 1046873635 /nfs/dbraw/zinc/87/36/35/1046873635.db2.gz JDJAVJPVLWFTKX-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000797878949 1046900452 /nfs/dbraw/zinc/90/04/52/1046900452.db2.gz CCQZMRIFBPZINR-MQMHXKEQSA-N 0 1 305.780 4.221 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC001140922000 1046951124 /nfs/dbraw/zinc/95/11/24/1046951124.db2.gz ZKHDKHWKRZANLC-GOSISDBHSA-N 0 1 315.848 4.138 20 10 DICDMN CN(C)c1ccc(CN2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC001140922000 1046951130 /nfs/dbraw/zinc/95/11/30/1046951130.db2.gz ZKHDKHWKRZANLC-GOSISDBHSA-N 0 1 315.848 4.138 20 10 DICDMN COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2Cl)cc1 ZINC001140922540 1046951941 /nfs/dbraw/zinc/95/19/41/1046951941.db2.gz TZOPDOZPJPMVFY-UHFFFAOYSA-N 0 1 318.848 4.047 20 10 DICDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2Cl)cc1 ZINC001140922540 1046951952 /nfs/dbraw/zinc/95/19/52/1046951952.db2.gz TZOPDOZPJPMVFY-UHFFFAOYSA-N 0 1 318.848 4.047 20 10 DICDMN Cc1ccc(O)c(CNc2ccc(Cl)c(CN(C)C)c2)c1 ZINC000798503621 1046959667 /nfs/dbraw/zinc/95/96/67/1046959667.db2.gz NSQGKRNPRITRRQ-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN CCC[C@H](C(=O)c1ccccc1)N(C)Cc1ccc(C)cc1O ZINC001140954778 1046963248 /nfs/dbraw/zinc/96/32/48/1046963248.db2.gz YXSMVPQWCLPGKI-GOSISDBHSA-N 0 1 311.425 4.184 20 10 DICDMN C[C@@H]1CC=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000836786445 1046989268 /nfs/dbraw/zinc/98/92/68/1046989268.db2.gz BWJFMDLARLQALA-SECBINFHSA-N 0 1 314.212 4.062 20 10 DICDMN CSCCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000799161672 1047004944 /nfs/dbraw/zinc/00/49/44/1047004944.db2.gz XTJHTLDOLLMCOA-UHFFFAOYSA-N 0 1 315.438 4.477 20 10 DICDMN CSCCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000799161672 1047004961 /nfs/dbraw/zinc/00/49/61/1047004961.db2.gz XTJHTLDOLLMCOA-UHFFFAOYSA-N 0 1 315.438 4.477 20 10 DICDMN COc1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000096970848 1047007518 /nfs/dbraw/zinc/00/75/18/1047007518.db2.gz KYRDSKPQYHBGCD-UHFFFAOYSA-N 0 1 323.392 4.196 20 10 DICDMN C[N@H+](Cc1ccc(Cl)cc1)Cc1c([O-])ccc2ccncc21 ZINC000799394738 1047024846 /nfs/dbraw/zinc/02/48/46/1047024846.db2.gz HHPIUZPRYUQMGM-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)cc1)Cc1c([O-])ccc2ccncc21 ZINC000799394738 1047024869 /nfs/dbraw/zinc/02/48/69/1047024869.db2.gz HHPIUZPRYUQMGM-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN Oc1ccc(O)c(CN2CCC[C@@H]2c2ccc(Cl)s2)c1 ZINC001141160238 1047028826 /nfs/dbraw/zinc/02/88/26/1047028826.db2.gz UQLYGIANMPDXNH-GFCCVEGCSA-N 0 1 309.818 4.150 20 10 DICDMN Cc1cc(Cl)ccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001141233958 1047058323 /nfs/dbraw/zinc/05/83/23/1047058323.db2.gz YSZQLOGYSYXHDZ-UHFFFAOYSA-N 0 1 317.816 4.008 20 10 DICDMN C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1[O-] ZINC000799728933 1047059719 /nfs/dbraw/zinc/05/97/19/1047059719.db2.gz NOPNZKJXCTZXFU-LBPRGKRZSA-N 0 1 314.816 4.420 20 10 DICDMN Oc1ccccc1CN(Cc1csc(Cl)n1)C1CCCC1 ZINC000827812783 1047181358 /nfs/dbraw/zinc/18/13/58/1047181358.db2.gz AGEKBNXDJRJWCI-UHFFFAOYSA-N 0 1 322.861 4.447 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527770816 1047281350 /nfs/dbraw/zinc/28/13/50/1047281350.db2.gz GWRFRZSNEVZQGR-KRWDZBQOSA-N 0 1 302.805 4.072 20 10 DICDMN C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc2ccccc2c1[O-] ZINC000390425936 1047296826 /nfs/dbraw/zinc/29/68/26/1047296826.db2.gz QKABNDSKNGDJHI-AWEZNQCLSA-N 0 1 302.377 4.268 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cc(F)ccc1F ZINC000390637112 1047300290 /nfs/dbraw/zinc/30/02/90/1047300290.db2.gz KCRVCBJMJTUVHP-CYBMUJFWSA-N 0 1 316.395 4.198 20 10 DICDMN C[C@@H]([NH2+]CCOc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000390886600 1047302275 /nfs/dbraw/zinc/30/22/75/1047302275.db2.gz XEQNUPYIMKMGPA-OAHLLOKOSA-N 0 1 307.393 4.275 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000390933129 1047302398 /nfs/dbraw/zinc/30/23/98/1047302398.db2.gz MWKPSOHDDMJIEG-HOTGVXAUSA-N 0 1 312.457 4.070 20 10 DICDMN Cc1ccccc1[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777843 1047314198 /nfs/dbraw/zinc/31/41/98/1047314198.db2.gz HITAHNSWBVEYEM-KRWDZBQOSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000725777843 1047314209 /nfs/dbraw/zinc/31/42/09/1047314209.db2.gz HITAHNSWBVEYEM-KRWDZBQOSA-N 0 1 318.420 4.238 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+](CC1CCCCC1)C1CC1 ZINC000725772188 1047314859 /nfs/dbraw/zinc/31/48/59/1047314859.db2.gz RHFCKDXUGMBUPN-UHFFFAOYSA-N 0 1 310.441 4.485 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000725772188 1047314870 /nfs/dbraw/zinc/31/48/70/1047314870.db2.gz RHFCKDXUGMBUPN-UHFFFAOYSA-N 0 1 310.441 4.485 20 10 DICDMN C[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)CC(F)(F)F ZINC000840874363 1047351770 /nfs/dbraw/zinc/35/17/70/1047351770.db2.gz YPHWBEABRZEPEI-QXEWZRGKSA-N 0 1 305.315 4.258 20 10 DICDMN CCOCc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cc1 ZINC000840880859 1047352281 /nfs/dbraw/zinc/35/22/81/1047352281.db2.gz XFTSJXYLACUVEB-UHFFFAOYSA-N 0 1 319.832 4.180 20 10 DICDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)c1[O-] ZINC000840892445 1047356050 /nfs/dbraw/zinc/35/60/50/1047356050.db2.gz SKYUBVGVKSYZBZ-CYBMUJFWSA-N 0 1 318.848 4.377 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c(Cl)c1 ZINC000840906426 1047358993 /nfs/dbraw/zinc/35/89/93/1047358993.db2.gz HCHMNSQWKCECIE-WBMJQRKESA-N 0 1 311.853 4.037 20 10 DICDMN Cc1nc2c(s1)[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)CCC2 ZINC000840937341 1047360416 /nfs/dbraw/zinc/36/04/16/1047360416.db2.gz RSABXGIVFUPMAK-CYBMUJFWSA-N 0 1 322.861 4.286 20 10 DICDMN CC(C)(C)c1ccncc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000840959269 1047363523 /nfs/dbraw/zinc/36/35/23/1047363523.db2.gz QCQVZGCGCXQTQJ-UHFFFAOYSA-N 0 1 304.821 4.028 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743649 1047447015 /nfs/dbraw/zinc/44/70/15/1047447015.db2.gz JDSQLVUAKXYRLX-RISCZKNCSA-N 0 1 324.877 4.061 20 10 DICDMN CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841744351 1047447462 /nfs/dbraw/zinc/44/74/62/1047447462.db2.gz HBKMZAJHMZVVCI-GFCCVEGCSA-N 0 1 320.820 4.079 20 10 DICDMN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841748212 1047448124 /nfs/dbraw/zinc/44/81/24/1047448124.db2.gz IICPRGQOJHJGBA-PIGZYNQJSA-N 0 1 302.805 4.243 20 10 DICDMN CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745392 1047448148 /nfs/dbraw/zinc/44/81/48/1047448148.db2.gz YXGMTHWKQVUCLD-CYBMUJFWSA-N 0 1 319.832 4.433 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000841746468 1047448157 /nfs/dbraw/zinc/44/81/57/1047448157.db2.gz ZMOSZKJULHOLQW-MNOVXSKESA-N 0 1 320.776 4.366 20 10 DICDMN COCc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745277 1047448362 /nfs/dbraw/zinc/44/83/62/1047448362.db2.gz PHGJDPRBDAJIBN-LBPRGKRZSA-N 0 1 305.805 4.043 20 10 DICDMN C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841748951 1047450500 /nfs/dbraw/zinc/45/05/00/1047450500.db2.gz CFCDKMMTMOHFEL-GUYCJALGSA-N 0 1 319.832 4.210 20 10 DICDMN C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841748952 1047450848 /nfs/dbraw/zinc/45/08/48/1047450848.db2.gz CFCDKMMTMOHFEL-SUMWQHHRSA-N 0 1 319.832 4.210 20 10 DICDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000841751965 1047452172 /nfs/dbraw/zinc/45/21/72/1047452172.db2.gz POESKRASBCOJAC-OTYXRUKQSA-N 0 1 308.809 4.452 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001142524751 1047465165 /nfs/dbraw/zinc/46/51/65/1047465165.db2.gz JAZIZDIBFPAHAE-NSHDSACASA-N 0 1 323.770 4.313 20 10 DICDMN C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CC(F)F ZINC000842889816 1047511746 /nfs/dbraw/zinc/51/17/46/1047511746.db2.gz HISIZQMCVDWDIN-IUCAKERBSA-N 0 1 322.193 4.097 20 10 DICDMN CCOc1ccc(CN(CC)Cc2ccccc2O)c(F)c1F ZINC001143278962 1047547684 /nfs/dbraw/zinc/54/76/84/1047547684.db2.gz ULDGLDDKNLHGSY-UHFFFAOYSA-N 0 1 321.367 4.091 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001204381224 1047620678 /nfs/dbraw/zinc/62/06/78/1047620678.db2.gz ATAOWSCICDBIPA-QGZVFWFLSA-N 0 1 319.807 4.392 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001204381224 1047620680 /nfs/dbraw/zinc/62/06/80/1047620680.db2.gz ATAOWSCICDBIPA-QGZVFWFLSA-N 0 1 319.807 4.392 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)C(C)(C)c1ccnc(Cl)c1 ZINC001154890859 1047661354 /nfs/dbraw/zinc/66/13/54/1047661354.db2.gz SJAJTQANOIQJMD-UHFFFAOYSA-N 0 1 304.821 4.198 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000927035075 1047765273 /nfs/dbraw/zinc/76/52/73/1047765273.db2.gz ZYUUVIWTHYTHJX-UMVBOHGHSA-N 0 1 301.455 4.480 20 10 DICDMN Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C)cc1O)CC3 ZINC001182783196 1047844817 /nfs/dbraw/zinc/84/48/17/1047844817.db2.gz VHZYGENXUSBUOG-UHFFFAOYSA-N 0 1 306.409 4.049 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001183045368 1047879528 /nfs/dbraw/zinc/87/95/28/1047879528.db2.gz IOGGTEVXFOZUAF-UHFFFAOYSA-N 0 1 305.780 4.354 20 10 DICDMN CC1(C)C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCS1 ZINC001184023709 1047989195 /nfs/dbraw/zinc/98/91/95/1047989195.db2.gz PDPBJYZHKXRZHR-OAHLLOKOSA-N 0 1 301.455 4.309 20 10 DICDMN CC(C)OCc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000775889736 1048005622 /nfs/dbraw/zinc/00/56/22/1048005622.db2.gz GJPSKVJMQJLYRZ-UHFFFAOYSA-N 0 1 319.832 4.260 20 10 DICDMN [O-]c1c(C[NH2+]CC[C@@H]2CCC(F)(F)C2)ccc2ccccc21 ZINC001184239277 1048016081 /nfs/dbraw/zinc/01/60/81/1048016081.db2.gz LDTHZGWCOCVJLS-ZDUSSCGKSA-N 0 1 305.368 4.461 20 10 DICDMN CCC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000774816463 1048124578 /nfs/dbraw/zinc/12/45/78/1048124578.db2.gz YMGUYLRBUAAKMX-GOSISDBHSA-N 0 1 315.388 4.365 20 10 DICDMN Oc1ccc(Cl)cc1CNCc1c(F)cccc1Cl ZINC000776117288 1048150004 /nfs/dbraw/zinc/15/00/04/1048150004.db2.gz NBDOWRGVUMHKGZ-UHFFFAOYSA-N 0 1 300.160 4.128 20 10 DICDMN CCCOc1ccc(CN[C@H]2COc3ccc(C)cc32)cc1C ZINC001201035826 1048182797 /nfs/dbraw/zinc/18/27/97/1048182797.db2.gz KQQQEYFQFGCZGJ-SFHVURJKSA-N 0 1 311.425 4.316 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001203658459 1048390128 /nfs/dbraw/zinc/39/01/28/1048390128.db2.gz WCGMUJDXPBDNKU-QGZVFWFLSA-N 0 1 317.816 4.089 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001203658459 1048390142 /nfs/dbraw/zinc/39/01/42/1048390142.db2.gz WCGMUJDXPBDNKU-QGZVFWFLSA-N 0 1 317.816 4.089 20 10 DICDMN CC[N@H+](Cc1cccc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC001203664153 1048404279 /nfs/dbraw/zinc/40/42/79/1048404279.db2.gz OUKTZBMZWYJNEH-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC001203664153 1048404287 /nfs/dbraw/zinc/40/42/87/1048404287.db2.gz OUKTZBMZWYJNEH-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC001203664259 1048409302 /nfs/dbraw/zinc/40/93/02/1048409302.db2.gz UQIMALLGOOTVOK-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC001203664259 1048409310 /nfs/dbraw/zinc/40/93/10/1048409310.db2.gz UQIMALLGOOTVOK-MRXNPFEDSA-N 0 1 302.805 4.086 20 10 DICDMN CC(C)(C)c1nc(CC[NH2+]Cc2c([O-])cccc2Cl)cs1 ZINC000776252778 1048465068 /nfs/dbraw/zinc/46/50/68/1048465068.db2.gz FWHLEOFARWPAED-UHFFFAOYSA-N 0 1 324.877 4.132 20 10 DICDMN Cc1cc(CN[C@H](C)c2cccc(F)c2F)ccc1N(C)C ZINC000776310089 1048564155 /nfs/dbraw/zinc/56/41/55/1048564155.db2.gz ONCYCZWBNBYQBM-CYBMUJFWSA-N 0 1 304.384 4.190 20 10 DICDMN CCCN(Cc1ccccc1O)Cc1nc(C)c2ccccc2n1 ZINC000107896913 1048597340 /nfs/dbraw/zinc/59/73/40/1048597340.db2.gz DDKPNTUSSMOETH-UHFFFAOYSA-N 0 1 321.424 4.056 20 10 DICDMN CC[C@H]([NH2+]CCc1cnccc1C)c1cc(Cl)ccc1[O-] ZINC000850504860 1048672906 /nfs/dbraw/zinc/67/29/06/1048672906.db2.gz GWZCTSWOKDUBIV-INIZCTEOSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@@H]([NH2+]CCc1cnccc1C)c1cc(Cl)ccc1[O-] ZINC000850504861 1048673370 /nfs/dbraw/zinc/67/33/70/1048673370.db2.gz GWZCTSWOKDUBIV-MRXNPFEDSA-N 0 1 304.821 4.032 20 10 DICDMN C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc2ccccc2c1[O-] ZINC000850535293 1048684409 /nfs/dbraw/zinc/68/44/09/1048684409.db2.gz ULPRHACUNMJUSQ-CYBMUJFWSA-N 0 1 321.424 4.007 20 10 DICDMN CCSC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000850550997 1048688583 /nfs/dbraw/zinc/68/85/83/1048688583.db2.gz FYYNTJJGAFHUKU-CYBMUJFWSA-N 0 1 301.455 4.482 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc2ccccc2c1[O-] ZINC000850553097 1048689129 /nfs/dbraw/zinc/68/91/29/1048689129.db2.gz RSBLZAZPVFMOCD-IAQYHMDHSA-N 0 1 305.368 4.487 20 10 DICDMN C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc2ccccc2c1[O-] ZINC000192918250 1048707943 /nfs/dbraw/zinc/70/79/43/1048707943.db2.gz DDOMGFRWCWAQGX-ZDUSSCGKSA-N 0 1 321.376 4.125 20 10 DICDMN CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776498587 1048722437 /nfs/dbraw/zinc/72/24/37/1048722437.db2.gz OQCSGXDNVFCKGJ-DIFFPNOSSA-N 0 1 323.795 4.051 20 10 DICDMN CC[C@@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000775393878 1048748990 /nfs/dbraw/zinc/74/89/90/1048748990.db2.gz JHXXRLFGAQJORJ-LJQANCHMSA-N 0 1 315.388 4.149 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCCCCCC2)c1[O-] ZINC001190781658 1048786186 /nfs/dbraw/zinc/78/61/86/1048786186.db2.gz VIILWVZQMGHTSN-UHFFFAOYSA-N 0 1 307.409 4.279 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3CCCC3)C2)c1[O-] ZINC001176932251 1048802700 /nfs/dbraw/zinc/80/27/00/1048802700.db2.gz GJIKXWWXRZATKG-HNNXBMFYSA-N 0 1 319.420 4.136 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3CCCC3)C2)c1[O-] ZINC001176932251 1048802717 /nfs/dbraw/zinc/80/27/17/1048802717.db2.gz GJIKXWWXRZATKG-HNNXBMFYSA-N 0 1 319.420 4.136 20 10 DICDMN COc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1Cl ZINC000851949787 1048815267 /nfs/dbraw/zinc/81/52/67/1048815267.db2.gz JIAPSKQKLDOBPZ-ZDUSSCGKSA-N 0 1 318.848 4.265 20 10 DICDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574432 1048932564 /nfs/dbraw/zinc/93/25/64/1048932564.db2.gz VPTQQCQLMPIQTK-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580629 1048935603 /nfs/dbraw/zinc/93/56/03/1048935603.db2.gz UMAMMUDGRPVTHI-CYBMUJFWSA-N 0 1 318.244 4.088 20 10 DICDMN COc1ccc(CN2CCC[C@@H]2c2cc(F)ccc2F)c(O)c1 ZINC001203628022 1048943940 /nfs/dbraw/zinc/94/39/40/1048943940.db2.gz VZSJOXOZCFGMHJ-QGZVFWFLSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccc(CN2CCC[C@H]2c2ccc(F)cc2F)c(O)c1 ZINC001203634464 1048944043 /nfs/dbraw/zinc/94/40/43/1048944043.db2.gz HIIDYCGVJCCPKU-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN CCN(CC)c1ccc(CNCc2cccc(C)c2F)cc1F ZINC001177795408 1048945192 /nfs/dbraw/zinc/94/51/92/1048945192.db2.gz RYDLXOSZFOFLCZ-UHFFFAOYSA-N 0 1 318.411 4.409 20 10 DICDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cc1 ZINC001203658508 1048950541 /nfs/dbraw/zinc/95/05/41/1048950541.db2.gz YQTQZEKYFOMENZ-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cc1 ZINC001203658508 1048950562 /nfs/dbraw/zinc/95/05/62/1048950562.db2.gz YQTQZEKYFOMENZ-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203657786 1048952068 /nfs/dbraw/zinc/95/20/68/1048952068.db2.gz NJSLCCZNYIBBGO-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203657786 1048952080 /nfs/dbraw/zinc/95/20/80/1048952080.db2.gz NJSLCCZNYIBBGO-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC001203664268 1048954439 /nfs/dbraw/zinc/95/44/39/1048954439.db2.gz UUNHGBUYDPRUCC-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC001203664268 1048954454 /nfs/dbraw/zinc/95/44/54/1048954454.db2.gz UUNHGBUYDPRUCC-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCCSCC(C)C)c(Cl)c1 ZINC001178203236 1048997949 /nfs/dbraw/zinc/99/79/49/1048997949.db2.gz CAQWTMDFKRCPFD-UHFFFAOYSA-N 0 1 301.883 4.223 20 10 DICDMN CC[C@H]([NH2+]Cc1cccc(COC)c1)c1cc(Cl)ccc1[O-] ZINC000775486508 1049007096 /nfs/dbraw/zinc/00/70/96/1049007096.db2.gz CKCVQNVKLKWNPO-KRWDZBQOSA-N 0 1 319.832 4.433 20 10 DICDMN Cc1cc(C)c(O)c(CN(C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000776780242 1049009965 /nfs/dbraw/zinc/00/99/65/1049009965.db2.gz YMGRELIKXRTAGK-UHFFFAOYSA-N 0 1 309.331 4.058 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001203831481 1049014060 /nfs/dbraw/zinc/01/40/60/1049014060.db2.gz VSNWTJTXZAJBCT-UMSPYCQHSA-N 0 1 323.770 4.360 20 10 DICDMN CC[C@H]([NH2+][C@H](C)CCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775497852 1049030906 /nfs/dbraw/zinc/03/09/06/1049030906.db2.gz WSMQIGJHHRNTNM-MFKMUULPSA-N 0 1 319.276 4.080 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775497771 1049033999 /nfs/dbraw/zinc/03/39/99/1049033999.db2.gz FPRSLPONBYUFMO-DOTOQJQBSA-N 0 1 311.853 4.028 20 10 DICDMN CCN(CC)c1ccc(CN2CCc3sccc3C2)cc1 ZINC001203939588 1049036217 /nfs/dbraw/zinc/03/62/17/1049036217.db2.gz DDXGYNKGBYWHRV-UHFFFAOYSA-N 0 1 300.471 4.153 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1cc(Cl)ccc1[O-] ZINC000775500871 1049039203 /nfs/dbraw/zinc/03/92/03/1049039203.db2.gz MBXQUOZPUWYVFX-CQSZACIVSA-N 0 1 321.804 4.001 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000775501571 1049040123 /nfs/dbraw/zinc/04/01/23/1049040123.db2.gz IAOLOMQRLUADNZ-HOTGVXAUSA-N 0 1 317.816 4.479 20 10 DICDMN CC[C@@H]([NH2+]Cc1cc(C(C)C)no1)c1cc(Cl)ccc1[O-] ZINC000775508340 1049043180 /nfs/dbraw/zinc/04/31/80/1049043180.db2.gz UARQEYPCVLWLCJ-CQSZACIVSA-N 0 1 308.809 4.398 20 10 DICDMN CC[C@@H](NCc1nccn1CC(C)C)c1cc(Cl)ccc1O ZINC000775510140 1049044007 /nfs/dbraw/zinc/04/40/07/1049044007.db2.gz VOUMNDPKMYLOAN-OAHLLOKOSA-N 0 1 321.852 4.139 20 10 DICDMN CC[C@@H]([NH2+]Cc1nccn1CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775510140 1049044027 /nfs/dbraw/zinc/04/40/27/1049044027.db2.gz VOUMNDPKMYLOAN-OAHLLOKOSA-N 0 1 321.852 4.139 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775513445 1049049911 /nfs/dbraw/zinc/04/99/11/1049049911.db2.gz JKVCRTCNOGJLII-HZUKXOBISA-N 0 1 323.820 4.192 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775511819 1049054227 /nfs/dbraw/zinc/05/42/27/1049054227.db2.gz JYYNVBUCLISZMF-MLGOLLRUSA-N 0 1 304.821 4.285 20 10 DICDMN CC[C@@H]([NH2+]CC1CCC(OC)CC1)c1cc(Cl)ccc1[O-] ZINC000775511339 1049054591 /nfs/dbraw/zinc/05/45/91/1049054591.db2.gz DSGWUHYDOREJFO-LDZOIKDWSA-N 0 1 311.853 4.292 20 10 DICDMN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512451 1049056416 /nfs/dbraw/zinc/05/64/16/1049056416.db2.gz PRNFZSZMDKRQFI-BHYGNILZSA-N 0 1 311.853 4.028 20 10 DICDMN CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)c1cc(Cl)ccc1[O-] ZINC000775513113 1049058357 /nfs/dbraw/zinc/05/83/57/1049058357.db2.gz GASUTERXZFNQRN-CQSZACIVSA-N 0 1 324.877 4.402 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000775520698 1049071850 /nfs/dbraw/zinc/07/18/50/1049071850.db2.gz VTRQBSLYHNKQLC-CQSZACIVSA-N 0 1 320.776 4.195 20 10 DICDMN CC[C@@H]([NH2+]CCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000775522578 1049082518 /nfs/dbraw/zinc/08/25/18/1049082518.db2.gz VAOBNYWUOHWZEG-MRXNPFEDSA-N 0 1 304.821 4.114 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001178831264 1049097857 /nfs/dbraw/zinc/09/78/57/1049097857.db2.gz MVJICSPFRQIJHZ-CQSZACIVSA-N 0 1 301.817 4.255 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(Br)ccc1[O-] ZINC000775527410 1049099751 /nfs/dbraw/zinc/09/97/51/1049099751.db2.gz XJWPZDMCFLOCRO-GWCFXTLKSA-N 0 1 323.234 4.285 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cc(Cl)ccc1[O-] ZINC000775532159 1049113004 /nfs/dbraw/zinc/11/30/04/1049113004.db2.gz RXVDRQXTRKTZRN-AWEZNQCLSA-N 0 1 311.212 4.335 20 10 DICDMN F[C@]1(c2ccccc2)C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001178998957 1049120196 /nfs/dbraw/zinc/12/01/96/1049120196.db2.gz VBYRBCSUIXAPGI-UXHICEINSA-N 0 1 310.416 4.014 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001178998382 1049121446 /nfs/dbraw/zinc/12/14/46/1049121446.db2.gz LPXCBEJDFKLPJR-WOJBJXKFSA-N 0 1 308.400 4.214 20 10 DICDMN CCN(C)c1ccc(CNC(C)(C)c2nc(C)c(C)s2)cc1 ZINC000773796086 1049125795 /nfs/dbraw/zinc/12/57/95/1049125795.db2.gz XMFHVZKIAPAZBS-UHFFFAOYSA-N 0 1 317.502 4.241 20 10 DICDMN C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000857082563 1049127388 /nfs/dbraw/zinc/12/73/88/1049127388.db2.gz OMRWDRQHJIVUST-RKDXNWHRSA-N 0 1 308.636 4.280 20 10 DICDMN CCN(Cc1ccc(N2CCCC2)cc1)Cc1ccccc1F ZINC001204321792 1049142063 /nfs/dbraw/zinc/14/20/63/1049142063.db2.gz KSYONNFBTKOQMC-UHFFFAOYSA-N 0 1 312.432 4.448 20 10 DICDMN CC[C@@H](N[C@H](C)c1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775555921 1049153376 /nfs/dbraw/zinc/15/33/76/1049153376.db2.gz SMZKKBMNNSXUJL-PRHODGIISA-N 0 1 311.838 4.007 20 10 DICDMN CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1cc(Cl)ccc1O ZINC000775555922 1049154296 /nfs/dbraw/zinc/15/42/96/1049154296.db2.gz SMZKKBMNNSXUJL-QPUJVOFHSA-N 0 1 311.838 4.007 20 10 DICDMN Cc1cc(F)ccc1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001179541343 1049179595 /nfs/dbraw/zinc/17/95/95/1049179595.db2.gz KMLSWXBKUKYMFP-GFCCVEGCSA-N 0 1 322.374 4.329 20 10 DICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)c(F)c(F)c1 ZINC001204531590 1049182554 /nfs/dbraw/zinc/18/25/54/1049182554.db2.gz XNFPQMSJTRXJCC-UHFFFAOYSA-N 0 1 322.374 4.192 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001204534692 1049185913 /nfs/dbraw/zinc/18/59/13/1049185913.db2.gz VMJPITSSXVOQJC-HNNXBMFYSA-N 0 1 317.379 4.440 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565474 1049190214 /nfs/dbraw/zinc/19/02/14/1049190214.db2.gz NPIWMPAJRBTELH-QGZVFWFLSA-N 0 1 317.816 4.397 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565474 1049190217 /nfs/dbraw/zinc/19/02/17/1049190217.db2.gz NPIWMPAJRBTELH-QGZVFWFLSA-N 0 1 317.816 4.397 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c(Cl)c1 ZINC001204565474 1049190220 /nfs/dbraw/zinc/19/02/20/1049190220.db2.gz NPIWMPAJRBTELH-QGZVFWFLSA-N 0 1 317.816 4.397 20 10 DICDMN CCN(CC)c1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000857757766 1049196404 /nfs/dbraw/zinc/19/64/04/1049196404.db2.gz STPXDCFBLSJGEA-UHFFFAOYSA-N 0 1 317.864 4.213 20 10 DICDMN CCN(C)c1ccc(CN[C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000773834525 1049213361 /nfs/dbraw/zinc/21/33/61/1049213361.db2.gz GIFNYZFGVSGLJH-QGZVFWFLSA-N 0 1 315.486 4.149 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1c1ccccc1 ZINC001204679877 1049222046 /nfs/dbraw/zinc/22/20/46/1049222046.db2.gz BHTBGBMMVCIWHH-PIGZYNQJSA-N 0 1 305.780 4.378 20 10 DICDMN Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001204681931 1049222514 /nfs/dbraw/zinc/22/25/14/1049222514.db2.gz NHVUFGRWQLLMBI-ZIAGYGMSSA-N 0 1 317.379 4.357 20 10 DICDMN C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001179937978 1049234167 /nfs/dbraw/zinc/23/41/67/1049234167.db2.gz REJMVIZGOOMWCN-GTNSWQLSSA-N 0 1 321.342 4.393 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCc3c(C)cccc3C2)c(Cl)c1 ZINC001204755839 1049254443 /nfs/dbraw/zinc/25/44/43/1049254443.db2.gz DXXPRHDOZITXSY-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCc3c(C)cccc3C2)c(Cl)c1 ZINC001204755839 1049254452 /nfs/dbraw/zinc/25/44/52/1049254452.db2.gz DXXPRHDOZITXSY-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001180007084 1049255227 /nfs/dbraw/zinc/25/52/27/1049255227.db2.gz PRVDAZQDQUOWPV-HNNXBMFYSA-N 0 1 317.379 4.125 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc(Cl)c1F ZINC001180042779 1049260903 /nfs/dbraw/zinc/26/09/03/1049260903.db2.gz JILQVNNNDZTTCG-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN CC[C@@H](NCc1cc(C)n(-c2ccccc2)c1C)c1ccn(C)n1 ZINC000858541666 1049272318 /nfs/dbraw/zinc/27/23/18/1049272318.db2.gz CTBAZHGLLIGXHT-LJQANCHMSA-N 0 1 322.456 4.069 20 10 DICDMN C[C@@H](C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001180072267 1049274908 /nfs/dbraw/zinc/27/49/08/1049274908.db2.gz PBTWMBDIZHBQDV-LBPRGKRZSA-N 0 1 307.796 4.420 20 10 DICDMN CCCCN(Cc1cc(Cl)c(F)cc1O)CC(F)(F)F ZINC001180275259 1049316229 /nfs/dbraw/zinc/31/62/29/1049316229.db2.gz LEIPIGQRWZAECN-UHFFFAOYSA-N 0 1 313.722 4.349 20 10 DICDMN COc1ccc(N(Cc2n[nH]c(C)c2C)Cc2ccccc2)cc1 ZINC001204930885 1049314420 /nfs/dbraw/zinc/31/44/20/1049314420.db2.gz QAPQIEXPXBDNHN-UHFFFAOYSA-N 0 1 321.424 4.242 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@H]2CC=CCC2)c1 ZINC001204952512 1049321607 /nfs/dbraw/zinc/32/16/07/1049321607.db2.gz DMAHSMGFNBMANF-ZDUSSCGKSA-N 0 1 324.262 4.251 20 10 DICDMN [O-]c1c(C[N@H+]2CCCCC[C@H]2c2ccncc2)ccc(F)c1F ZINC001205149617 1049393561 /nfs/dbraw/zinc/39/35/61/1049393561.db2.gz WPMGXKHQMUKROF-INIZCTEOSA-N 0 1 318.367 4.183 20 10 DICDMN Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001180819815 1049409650 /nfs/dbraw/zinc/40/96/50/1049409650.db2.gz KZFKOYAGADTHLP-OAHLLOKOSA-N 0 1 301.817 4.344 20 10 DICDMN Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001180819815 1049409658 /nfs/dbraw/zinc/40/96/58/1049409658.db2.gz KZFKOYAGADTHLP-OAHLLOKOSA-N 0 1 301.817 4.344 20 10 DICDMN Cc1cc(C)c2c(c1)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001180977828 1049425069 /nfs/dbraw/zinc/42/50/69/1049425069.db2.gz STZSNFBQVNMHKT-UHFFFAOYSA-N 0 1 319.807 4.360 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1Cl ZINC001205292024 1049429601 /nfs/dbraw/zinc/42/96/01/1049429601.db2.gz VKZCSZAZYUCAGU-SJKOYZFVSA-N 0 1 316.832 4.332 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1Cl ZINC001205292024 1049429608 /nfs/dbraw/zinc/42/96/08/1049429608.db2.gz VKZCSZAZYUCAGU-SJKOYZFVSA-N 0 1 316.832 4.332 20 10 DICDMN COc1ccc(O)c(CN(C)[C@H](C)c2ccccc2Cl)c1 ZINC000775648282 1049500375 /nfs/dbraw/zinc/50/03/75/1049500375.db2.gz CUSUORRPKQDKLA-GFCCVEGCSA-N 0 1 305.805 4.247 20 10 DICDMN C[N@@H+](Cc1ccc(F)cc1F)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648343 1049509052 /nfs/dbraw/zinc/50/90/52/1049509052.db2.gz SNUWDYPPNLFAEP-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000775648715 1049509914 /nfs/dbraw/zinc/50/99/14/1049509914.db2.gz ISWNKVHGKRVEAE-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)c1cccc(O)c1 ZINC000775655708 1049533604 /nfs/dbraw/zinc/53/36/04/1049533604.db2.gz JWKOFKPVUHYUMQ-NSHDSACASA-N 0 1 323.795 4.473 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001182053727 1049566216 /nfs/dbraw/zinc/56/62/16/1049566216.db2.gz PUPVHGLSPSGPBK-XJKCOSOUSA-N 0 1 317.379 4.437 20 10 DICDMN COc1cccc2c1CCCCN2Cc1ccc(F)c(F)c1O ZINC001182126848 1049572746 /nfs/dbraw/zinc/57/27/46/1049572746.db2.gz KCWHDRLWATXAPZ-UHFFFAOYSA-N 0 1 319.351 4.022 20 10 DICDMN Cc1ccc(CNCc2nc(-c3ccccc3)cs2)c(O)c1 ZINC001182161956 1049579541 /nfs/dbraw/zinc/57/95/41/1049579541.db2.gz VFMGIKBGIWKALB-UHFFFAOYSA-N 0 1 310.422 4.114 20 10 DICDMN Oc1c(CN2CCCSc3ccccc32)ccc(F)c1F ZINC001182162016 1049580101 /nfs/dbraw/zinc/58/01/01/1049580101.db2.gz WLWSKGPXUUBLSE-UHFFFAOYSA-N 0 1 307.365 4.173 20 10 DICDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000119590751 1049589464 /nfs/dbraw/zinc/58/94/64/1049589464.db2.gz YTWDBKBHBSONRB-GOSISDBHSA-N 0 1 304.384 4.272 20 10 DICDMN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001182272907 1049599130 /nfs/dbraw/zinc/59/91/30/1049599130.db2.gz XWJGEKADCJECLK-LBPRGKRZSA-N 0 1 307.796 4.248 20 10 DICDMN C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001182272907 1049599141 /nfs/dbraw/zinc/59/91/41/1049599141.db2.gz XWJGEKADCJECLK-LBPRGKRZSA-N 0 1 307.796 4.248 20 10 DICDMN C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001182272907 1049599161 /nfs/dbraw/zinc/59/91/61/1049599161.db2.gz XWJGEKADCJECLK-LBPRGKRZSA-N 0 1 307.796 4.248 20 10 DICDMN Oc1c(CNc2ccc(-c3nccs3)cc2)ccc(F)c1F ZINC000863993359 1049609279 /nfs/dbraw/zinc/60/92/79/1049609279.db2.gz PELLUSSCOMEOLF-UHFFFAOYSA-N 0 1 318.348 4.406 20 10 DICDMN Cc1cc(N2CCCC2)ccc1NCc1ccc(F)c(F)c1O ZINC000864005406 1049612738 /nfs/dbraw/zinc/61/27/38/1049612738.db2.gz VAKGYABKEBQNAV-UHFFFAOYSA-N 0 1 318.367 4.191 20 10 DICDMN CC[C@@H](C)Oc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864020799 1049626747 /nfs/dbraw/zinc/62/67/47/1049626747.db2.gz ZSHXNUXBGLDKRA-LLVKDONJSA-N 0 1 307.340 4.460 20 10 DICDMN CCCOc1cc(F)ccc1NCc1ccc(F)c(F)c1O ZINC000864022570 1049627875 /nfs/dbraw/zinc/62/78/75/1049627875.db2.gz QIPZCIYQLNSQEA-UHFFFAOYSA-N 0 1 311.303 4.210 20 10 DICDMN Oc1c(CNc2cccc(-c3nccs3)c2)ccc(F)c1F ZINC000864025488 1049628949 /nfs/dbraw/zinc/62/89/49/1049628949.db2.gz JAJWQCGVOBAEMY-UHFFFAOYSA-N 0 1 318.348 4.406 20 10 DICDMN Cc1ncc(-c2ccc(NCc3ccc(F)c(F)c3O)cc2)o1 ZINC000864025392 1049629073 /nfs/dbraw/zinc/62/90/73/1049629073.db2.gz RVKCGHYXHWAACT-UHFFFAOYSA-N 0 1 316.307 4.246 20 10 DICDMN Oc1c(F)c(F)ccc1CNc1cc(Cl)cc2cccnc21 ZINC000864025450 1049629100 /nfs/dbraw/zinc/62/91/00/1049629100.db2.gz UGSCKTAVAXVNKG-UHFFFAOYSA-N 0 1 320.726 4.484 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])n1 ZINC000775697782 1049630484 /nfs/dbraw/zinc/63/04/84/1049630484.db2.gz GXOZBMJAEDXTHT-MRXNPFEDSA-N 0 1 320.795 4.225 20 10 DICDMN CC(C)n1ncc2ccc(NCc3ccc(F)c(F)c3O)cc21 ZINC000864028914 1049630447 /nfs/dbraw/zinc/63/04/47/1049630447.db2.gz MUFXUORKXSSTTD-UHFFFAOYSA-N 0 1 317.339 4.213 20 10 DICDMN Oc1c(CNc2ccccc2CC(F)(F)F)ccc(F)c1F ZINC000864029874 1049631045 /nfs/dbraw/zinc/63/10/45/1049631045.db2.gz ULNHZOTUABXCAP-UHFFFAOYSA-N 0 1 317.257 4.387 20 10 DICDMN CC(C)Oc1ccc(NCc2ccc(F)c(F)c2O)c(F)c1 ZINC000864030320 1049631228 /nfs/dbraw/zinc/63/12/28/1049631228.db2.gz JMKMBESLDQKZAB-UHFFFAOYSA-N 0 1 311.303 4.209 20 10 DICDMN CC(C)Oc1cc(F)ccc1NCc1ccc(F)c(F)c1O ZINC000864031625 1049631831 /nfs/dbraw/zinc/63/18/31/1049631831.db2.gz JHLSTDSKQOODDY-UHFFFAOYSA-N 0 1 311.303 4.209 20 10 DICDMN CCCOc1ccc(NCc2ccc(F)c(F)c2O)cc1F ZINC000864041996 1049636292 /nfs/dbraw/zinc/63/62/92/1049636292.db2.gz YNTLENGRRFCXPS-UHFFFAOYSA-N 0 1 311.303 4.210 20 10 DICDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775712578 1049650469 /nfs/dbraw/zinc/65/04/69/1049650469.db2.gz DCILCQGQSKFMDE-CYBMUJFWSA-N 0 1 317.816 4.044 20 10 DICDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCC(F)(F)CC1)CCCC3 ZINC000794685337 1049654805 /nfs/dbraw/zinc/65/48/05/1049654805.db2.gz GLQWZPUKKWRGQU-UHFFFAOYSA-N 0 1 321.367 4.248 20 10 DICDMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775734983 1049676597 /nfs/dbraw/zinc/67/65/97/1049676597.db2.gz FHNBOHDEUKAWIG-SNVBAGLBSA-N 0 1 305.846 4.148 20 10 DICDMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775734952 1049678509 /nfs/dbraw/zinc/67/85/09/1049678509.db2.gz DJFRZDRXQSVFDO-OLZOCXBDSA-N 0 1 317.857 4.291 20 10 DICDMN Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775731685 1049679934 /nfs/dbraw/zinc/67/99/34/1049679934.db2.gz JVQQWQOFZIPKQY-MRXNPFEDSA-N 0 1 322.811 4.250 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC001182685290 1049700176 /nfs/dbraw/zinc/70/01/76/1049700176.db2.gz QCMPLLPAKYCQFZ-UHFFFAOYSA-N 0 1 315.722 4.412 20 10 DICDMN Cc1ccc(-c2nc(CN[C@@H](C)c3ccccc3O)cs2)o1 ZINC001197004199 1049712718 /nfs/dbraw/zinc/71/27/18/1049712718.db2.gz PRLXVPVWKODSOD-LBPRGKRZSA-N 0 1 314.410 4.268 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1Cl ZINC001206761794 1049793955 /nfs/dbraw/zinc/79/39/55/1049793955.db2.gz HLGFAEAHQHQKPG-JTQLQIEISA-N 0 1 308.636 4.028 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000087778735 1049923447 /nfs/dbraw/zinc/92/34/47/1049923447.db2.gz BKGHZDRUOGPSSJ-WBMJQRKESA-N 0 1 307.821 4.013 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC001207806263 1049941670 /nfs/dbraw/zinc/94/16/70/1049941670.db2.gz SAJGURDHBHHKQE-HOTGVXAUSA-N 0 1 315.844 4.322 20 10 DICDMN C[N@@H+](CCc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC001209119146 1050036917 /nfs/dbraw/zinc/03/69/17/1050036917.db2.gz OIWKFTPTWSFZRR-UHFFFAOYSA-N 0 1 309.331 4.086 20 10 DICDMN Oc1cccc2c1C[N@@H+](CCc1cccc(C(F)(F)F)c1)CC2 ZINC001209117702 1050037539 /nfs/dbraw/zinc/03/75/39/1050037539.db2.gz BTPKZIZGZNUZDP-UHFFFAOYSA-N 0 1 321.342 4.012 20 10 DICDMN COc1ccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)cc1C ZINC000823753516 1050152671 /nfs/dbraw/zinc/15/26/71/1050152671.db2.gz WTVPCQCNMAPOFO-AWEZNQCLSA-N 0 1 321.342 4.198 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)CCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000824653980 1050229289 /nfs/dbraw/zinc/22/92/89/1050229289.db2.gz KBFHDCZKEFLIRS-BXUZGUMPSA-N 0 1 319.367 4.003 20 10 DICDMN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1F ZINC000825063417 1050270581 /nfs/dbraw/zinc/27/05/81/1050270581.db2.gz DAGUNISMLDIEKP-NSHDSACASA-N 0 1 323.795 4.353 20 10 DICDMN CCOc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC000825137527 1050278869 /nfs/dbraw/zinc/27/88/69/1050278869.db2.gz BBNPCKXVFNLQEY-UHFFFAOYSA-N 0 1 305.805 4.043 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1Cl ZINC000825178668 1050282178 /nfs/dbraw/zinc/28/21/78/1050282178.db2.gz NTVNIYSIWQMSDI-MRXNPFEDSA-N 0 1 317.816 4.276 20 10 DICDMN COc1cccc(F)c1[C@H](C)NCc1cc(Cl)c(C)cc1O ZINC000825282948 1050289782 /nfs/dbraw/zinc/28/97/82/1050289782.db2.gz CDRLOZAYQFVHBR-NSHDSACASA-N 0 1 323.795 4.353 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CSc3ccccc32)cc1Cl ZINC000825292031 1050290786 /nfs/dbraw/zinc/29/07/86/1050290786.db2.gz STWUBIZOOMUDEA-AWEZNQCLSA-N 0 1 305.830 4.291 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1Cl ZINC000825412641 1050304868 /nfs/dbraw/zinc/30/48/68/1050304868.db2.gz KXDVSNVEHXNPEC-LSDHHAIUSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1Cl ZINC000825412456 1050305132 /nfs/dbraw/zinc/30/51/32/1050305132.db2.gz KXDVSNVEHXNPEC-HUUCEWRRSA-N 0 1 311.853 4.037 20 10 DICDMN CCN(CC)c1ccc(CNCc2cc(C)ccc2F)cc1 ZINC000735084800 1050344619 /nfs/dbraw/zinc/34/46/19/1050344619.db2.gz UOUDPZSQGDENPZ-UHFFFAOYSA-N 0 1 300.421 4.270 20 10 DICDMN COC[C@@H](NCc1ccc(OC)c(C)c1)c1ccc(Cl)cc1 ZINC000785543406 1050386633 /nfs/dbraw/zinc/38/66/33/1050386633.db2.gz DPPSQSXDGOKQQK-QGZVFWFLSA-N 0 1 319.832 4.134 20 10 DICDMN C[N@@H+](Cc1ccccc1O)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171136813 1050460686 /nfs/dbraw/zinc/46/06/86/1050460686.db2.gz WOKXQVMTYJJHOT-QGZVFWFLSA-N 0 1 301.817 4.035 20 10 DICDMN C[C@H]1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160600610 1050571194 /nfs/dbraw/zinc/57/11/94/1050571194.db2.gz VSJFNIJEWLRQSA-CABZTGNLSA-N 0 1 316.228 4.142 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000739864231 1050590857 /nfs/dbraw/zinc/59/08/57/1050590857.db2.gz ZXOPMNKYKQMCBK-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000739864231 1050590869 /nfs/dbraw/zinc/59/08/69/1050590869.db2.gz ZXOPMNKYKQMCBK-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC001171190443 1050596201 /nfs/dbraw/zinc/59/62/01/1050596201.db2.gz SICVIBUEAIVRLC-SGMGOOAPSA-N 0 1 307.409 4.038 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)ccc2ccccc21 ZINC000846104491 1050670337 /nfs/dbraw/zinc/67/03/37/1050670337.db2.gz IEJLVRDSWNGTNF-QGZVFWFLSA-N 0 1 303.352 4.167 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc2ccccc21 ZINC000846104491 1050670340 /nfs/dbraw/zinc/67/03/40/1050670340.db2.gz IEJLVRDSWNGTNF-QGZVFWFLSA-N 0 1 303.352 4.167 20 10 DICDMN Cc1cc(C)c([C@@H](C)NCc2ccn(C3CCCC3)n2)c(O)c1 ZINC000788672210 1050729973 /nfs/dbraw/zinc/72/99/73/1050729973.db2.gz PEYOOTAZWPUEPQ-OAHLLOKOSA-N 0 1 313.445 4.171 20 10 DICDMN C[C@H](NCc1cc(-c2ccccc2)no1)c1ccc(N(C)C)cc1 ZINC000772951762 1050752913 /nfs/dbraw/zinc/75/29/13/1050752913.db2.gz YORFSRMPVRSMFB-HNNXBMFYSA-N 0 1 321.424 4.258 20 10 DICDMN Cc1cccc2c(CC[NH2+]Cc3c([O-])cccc3Cl)c[nH]c21 ZINC000742373636 1050835880 /nfs/dbraw/zinc/83/58/80/1050835880.db2.gz QLODTFMXLUDUPI-UHFFFAOYSA-N 0 1 314.816 4.168 20 10 DICDMN CCN(CC)c1ccc(CNCc2c(C)cccc2F)cc1 ZINC000742380216 1050836893 /nfs/dbraw/zinc/83/68/93/1050836893.db2.gz KHCBVHGHNAYHBC-UHFFFAOYSA-N 0 1 300.421 4.270 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000789546100 1050845741 /nfs/dbraw/zinc/84/57/41/1050845741.db2.gz OQZVCWJYAGDPJC-UHFFFAOYSA-N 0 1 316.404 4.230 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000789546100 1050845752 /nfs/dbraw/zinc/84/57/52/1050845752.db2.gz OQZVCWJYAGDPJC-UHFFFAOYSA-N 0 1 316.404 4.230 20 10 DICDMN CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H](C)C(C)C ZINC000742556209 1050888037 /nfs/dbraw/zinc/88/80/37/1050888037.db2.gz DHZZDNDLWVKHNE-CQSZACIVSA-N 0 1 301.430 4.420 20 10 DICDMN CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H](C)C(C)C ZINC000742556209 1050888040 /nfs/dbraw/zinc/88/80/40/1050888040.db2.gz DHZZDNDLWVKHNE-CQSZACIVSA-N 0 1 301.430 4.420 20 10 DICDMN CC[C@@H](NCc1cc(C)cc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000282712873 1050986789 /nfs/dbraw/zinc/98/67/89/1050986789.db2.gz LNRIAPVFDHYHQR-QGZVFWFLSA-N 0 1 317.864 4.350 20 10 DICDMN Cc1c(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cccc1[N+](=O)[O-] ZINC000790697273 1050987210 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[O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000793309123 1051278581 /nfs/dbraw/zinc/27/85/81/1051278581.db2.gz LAKWDWHYBNEWAW-INIZCTEOSA-N 0 1 305.780 4.352 20 10 DICDMN CC(C)[N@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc2ccncc21 ZINC000746026732 1051309565 /nfs/dbraw/zinc/30/95/65/1051309565.db2.gz QCNBPVYCUOVEPF-UHFFFAOYSA-N 0 1 324.399 4.490 20 10 DICDMN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc2ccncc21 ZINC000746026732 1051309575 /nfs/dbraw/zinc/30/95/75/1051309575.db2.gz QCNBPVYCUOVEPF-UHFFFAOYSA-N 0 1 324.399 4.490 20 10 DICDMN CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172345334 1051364955 /nfs/dbraw/zinc/36/49/55/1051364955.db2.gz WOPMNRIPTJPSGN-GJZGRUSLSA-N 0 1 301.430 4.229 20 10 DICDMN CC[C@@H](CC(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172391890 1051394851 /nfs/dbraw/zinc/39/48/51/1051394851.db2.gz KJQPZMJLKXOSCI-ZDUSSCGKSA-N 0 1 300.240 4.069 20 10 DICDMN CC[C@@H](NCc1nc2cc(C)ccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000766380396 1051409610 /nfs/dbraw/zinc/40/96/10/1051409610.db2.gz 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ZINC001231870459 1053900257 /nfs/dbraw/zinc/90/02/57/1053900257.db2.gz CDRQDNIFYJCVAB-UHFFFAOYSA-N 0 1 317.816 4.059 20 10 DICDMN Cc1cc(O)c(CN2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC001231869119 1053900337 /nfs/dbraw/zinc/90/03/37/1053900337.db2.gz JAJUPZCCUSKZOE-LLVKDONJSA-N 0 1 307.743 4.128 20 10 DICDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCC1(F)F ZINC001231879484 1053903547 /nfs/dbraw/zinc/90/35/47/1053903547.db2.gz DUOMVKYKLCLRML-CYBMUJFWSA-N 0 1 305.368 4.413 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCC1(F)F ZINC001231879484 1053903560 /nfs/dbraw/zinc/90/35/60/1053903560.db2.gz DUOMVKYKLCLRML-CYBMUJFWSA-N 0 1 305.368 4.413 20 10 DICDMN COc1cccc2c1C[N@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001231879475 1053903622 /nfs/dbraw/zinc/90/36/22/1053903622.db2.gz DQIGWQHOCHTIDD-UHFFFAOYSA-N 0 1 319.404 4.112 20 10 DICDMN COc1cccc2c1C[N@@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001231879475 1053903633 /nfs/dbraw/zinc/90/36/33/1053903633.db2.gz DQIGWQHOCHTIDD-UHFFFAOYSA-N 0 1 319.404 4.112 20 10 DICDMN C[N@H+](CCc1ccc(F)cc1)Cc1ccc2ccccc2c1[O-] ZINC001231880603 1053906917 /nfs/dbraw/zinc/90/69/17/1053906917.db2.gz KCAPVQRQZLCOCD-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccc2ccccc2c1[O-] ZINC001231880603 1053906927 /nfs/dbraw/zinc/90/69/27/1053906927.db2.gz KCAPVQRQZLCOCD-UHFFFAOYSA-N 0 1 309.384 4.359 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])c1 ZINC001231912741 1053914278 /nfs/dbraw/zinc/91/42/78/1053914278.db2.gz WCLAANPHIVDXSJ-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001231915142 1053914516 /nfs/dbraw/zinc/91/45/16/1053914516.db2.gz ZXAIPBSBZFQOCK-UHFFFAOYSA-N 0 1 308.208 4.257 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001231911389 1053915905 /nfs/dbraw/zinc/91/59/05/1053915905.db2.gz CWFAMINIXBFCLG-INIZCTEOSA-N 0 1 302.805 4.168 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1[O-])Cc1cccc2cccnc21 ZINC001231911811 1053917742 /nfs/dbraw/zinc/91/77/42/1053917742.db2.gz 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312.388 4.270 20 10 DICDMN CN(C)c1ccc(CN(C)Cc2c3ccoc3ccc2F)cc1 ZINC001248546000 1059876368 /nfs/dbraw/zinc/87/63/68/1059876368.db2.gz XPHPYBCXPSXCDJ-UHFFFAOYSA-N 0 1 312.388 4.270 20 10 DICDMN CC1(C)C=Cc2c(O)c(CN3Cc4ccccc4C3)ccc2O1 ZINC001249224228 1060193715 /nfs/dbraw/zinc/19/37/15/1060193715.db2.gz VPLZEOQZLQIITF-UHFFFAOYSA-N 0 1 307.393 4.092 20 10 DICDMN Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)cc1 ZINC001560630222 1060439972 /nfs/dbraw/zinc/43/99/72/1060439972.db2.gz QFFUPTMVOOCDCB-QGZVFWFLSA-N 0 1 313.416 4.294 20 10 DICDMN CC[C@]1(C)CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001560644503 1060467644 /nfs/dbraw/zinc/46/76/44/1060467644.db2.gz BJQUWACOKNTSID-OAHLLOKOSA-N 0 1 312.251 4.167 20 10 DICDMN CC[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001560644503 1060467653 /nfs/dbraw/zinc/46/76/53/1060467653.db2.gz BJQUWACOKNTSID-OAHLLOKOSA-N 0 1 312.251 4.167 20 10 DICDMN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H](C)C(C)C ZINC001560659650 1060484731 /nfs/dbraw/zinc/48/47/31/1060484731.db2.gz OQBANUPYXYHTMR-LBPRGKRZSA-N 0 1 314.267 4.330 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1Cl ZINC001560764803 1060629616 /nfs/dbraw/zinc/62/96/16/1060629616.db2.gz QLLSQQWSDADRDS-LBPRGKRZSA-N 0 1 309.759 4.421 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001560729439 1060596907 /nfs/dbraw/zinc/59/69/07/1060596907.db2.gz KIGOLOCJVYXBAK-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN CCCC[N@@H+](Cc1ccc(F)c(OC)c1)Cc1ccccc1O ZINC001560783433 1060644085 /nfs/dbraw/zinc/64/40/85/1060644085.db2.gz DJJHMAIIWZPSIJ-UHFFFAOYSA-N 0 1 317.404 4.342 20 10 DICDMN C[N@H+](Cc1c([O-])cccc1Br)[C@@H]1CCC(C)(C)C1 ZINC001560803621 1060662958 /nfs/dbraw/zinc/66/29/58/1060662958.db2.gz BESDEIHJXMIFGD-LLVKDONJSA-N 0 1 312.251 4.165 20 10 DICDMN C[N@@H+](Cc1c([O-])cccc1Br)[C@@H]1CCC(C)(C)C1 ZINC001560803621 1060662964 /nfs/dbraw/zinc/66/29/64/1060662964.db2.gz BESDEIHJXMIFGD-LLVKDONJSA-N 0 1 312.251 4.165 20 10 DICDMN C[N@H+](Cc1c([O-])cccc1Br)[C@H]1CCC(C)(C)C1 ZINC001560803622 1060664411 /nfs/dbraw/zinc/66/44/11/1060664411.db2.gz BESDEIHJXMIFGD-NSHDSACASA-N 0 1 312.251 4.165 20 10 DICDMN C[N@@H+](Cc1c([O-])cccc1Br)[C@H]1CCC(C)(C)C1 ZINC001560803622 1060664424 /nfs/dbraw/zinc/66/44/24/1060664424.db2.gz BESDEIHJXMIFGD-NSHDSACASA-N 0 1 312.251 4.165 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001560819220 1060677638 /nfs/dbraw/zinc/67/76/38/1060677638.db2.gz YDLWBUSDZLPWMR-YQVWRLOYSA-N 0 1 311.400 4.299 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CC(Cc3ccccc3)C2)cc1Cl ZINC001560874464 1060734652 /nfs/dbraw/zinc/73/46/52/1060734652.db2.gz AEOYWSJPQYGQNZ-UHFFFAOYSA-N 0 1 301.817 4.029 20 10 DICDMN CC1(C)CC2(CO1)CCC([NH2+]Cc1cc(Cl)ccc1[O-])CC2 ZINC001560913197 1060773350 /nfs/dbraw/zinc/77/33/50/1060773350.db2.gz JFDQPQYJAJPVLN-UHFFFAOYSA-N 0 1 323.864 4.263 20 10 DICDMN Cc1ccc(C2CC([NH2+]Cc3cc(Cl)ccc3[O-])C2)cc1 ZINC001560913371 1060774719 /nfs/dbraw/zinc/77/47/19/1060774719.db2.gz LRCCZAKDFWRSKN-UHFFFAOYSA-N 0 1 301.817 4.390 20 10 DICDMN Cc1ccc2c(c1)C[N@@H+](Cc1c([O-])cc(C)cc1Cl)CC2 ZINC001560922524 1060785725 /nfs/dbraw/zinc/78/57/25/1060785725.db2.gz YWPYRLOCUJVDKR-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1ccc2c(c1)C[N@H+](Cc1c([O-])cc(C)cc1Cl)CC2 ZINC001560922524 1060785738 /nfs/dbraw/zinc/78/57/38/1060785738.db2.gz YWPYRLOCUJVDKR-UHFFFAOYSA-N 0 1 301.817 4.221 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1Cl ZINC001560953402 1060820557 /nfs/dbraw/zinc/82/05/57/1060820557.db2.gz LFAAKXHOXISOQI-KRWDZBQOSA-N 0 1 323.864 4.183 20 10 DICDMN CCN(CC)c1ccc(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc1 ZINC001250468571 1060827499 /nfs/dbraw/zinc/82/74/99/1060827499.db2.gz DSLHFADQEFOVFK-UHFFFAOYSA-N 0 1 322.412 4.035 20 10 DICDMN COc1ccc(CN2Cc3cccc(O)c3C2)cc1C(C)(C)C ZINC001560977536 1060841890 /nfs/dbraw/zinc/84/18/90/1060841890.db2.gz DFKOBEKIFPUCHL-UHFFFAOYSA-N 0 1 311.425 4.214 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)c2cc3cnccc3o2)cc1Cl ZINC001560982169 1060847365 /nfs/dbraw/zinc/84/73/65/1060847365.db2.gz YPYDYGLRNJWPBR-NSHDSACASA-N 0 1 316.788 4.346 20 10 DICDMN CN(C)c1ccc(/C=C\CN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001561034947 1060888352 /nfs/dbraw/zinc/88/83/52/1060888352.db2.gz IDBUYAPIYBRMOJ-XQQSMPNESA-N 0 1 310.416 4.352 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001561034946 1060889636 /nfs/dbraw/zinc/88/96/36/1060889636.db2.gz IDBUYAPIYBRMOJ-WUUFJKRQSA-N 0 1 310.416 4.352 20 10 DICDMN Oc1cc(F)c(Cl)cc1CN1Cc2cccc(Cl)c2C1 ZINC001561037450 1060892054 /nfs/dbraw/zinc/89/20/54/1060892054.db2.gz JCYAIUSVMKXOMV-UHFFFAOYSA-N 0 1 312.171 4.354 20 10 DICDMN CC(C)c1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC001561054625 1060902401 /nfs/dbraw/zinc/90/24/01/1060902401.db2.gz KBRBQHBEEFULLW-UHFFFAOYSA-N 0 1 317.379 4.352 20 10 DICDMN CCN(C)c1ccc(CN2CCOc3ccccc3[C@H]2C)cc1 ZINC001473249372 1061024125 /nfs/dbraw/zinc/02/41/25/1061024125.db2.gz BJATVQXGNDYLBZ-MRXNPFEDSA-N 0 1 310.441 4.098 20 10 DICDMN Cc1cccc(C[N@H+](C)Cc2c([O-])ccc(Cl)c2F)c1C ZINC001462273891 1061069545 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CCC1(CC)[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1OC ZINC001474321151 1061899235 /nfs/dbraw/zinc/89/92/35/1061899235.db2.gz ZVUVSYTUOYHQJE-CABCVRRESA-N 0 1 311.853 4.071 20 10 DICDMN Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474347405 1061953427 /nfs/dbraw/zinc/95/34/27/1061953427.db2.gz QXXVBTPNIDWPLL-MRXNPFEDSA-N 0 1 317.379 4.186 20 10 DICDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474351040 1061962565 /nfs/dbraw/zinc/96/25/65/1061962565.db2.gz SHVZNQSHOKNSOE-INIZCTEOSA-N 0 1 303.833 4.499 20 10 DICDMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001474355352 1061969156 /nfs/dbraw/zinc/96/91/56/1061969156.db2.gz KTJIOCISNLCYOD-BBRMVZONSA-N 0 1 301.817 4.424 20 10 DICDMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474360470 1061986219 /nfs/dbraw/zinc/98/62/19/1061986219.db2.gz QDZGVBULGRWDTJ-NEPJUHHUSA-N 0 1 317.857 4.291 20 10 DICDMN C[C@H]1c2ccccc2OCCN1Cc1c(O)ccc(Cl)c1F ZINC001474363535 1061990914 /nfs/dbraw/zinc/99/09/14/1061990914.db2.gz HBEGNGINZUZGED-NSHDSACASA-N 0 1 321.779 4.140 20 10 DICDMN CCCCN(Cc1cc(Cl)cc(F)c1O)CC(F)(F)F ZINC001474382133 1062032569 /nfs/dbraw/zinc/03/25/69/1062032569.db2.gz DFZOKIVASVPTIN-UHFFFAOYSA-N 0 1 313.722 4.349 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cccc3cc[nH]c32)c(Cl)c1 ZINC001474445671 1062123589 /nfs/dbraw/zinc/12/35/89/1062123589.db2.gz ISPZIAYTQNBOKA-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN CSc1ccccc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474490388 1062171033 /nfs/dbraw/zinc/17/10/33/1062171033.db2.gz YYGQQUKSCVLLKF-UHFFFAOYSA-N 0 1 309.381 4.024 20 10 DICDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001474505259 1062187189 /nfs/dbraw/zinc/18/71/89/1062187189.db2.gz RFRHBHXSFFABLN-YPMHNXCESA-N 0 1 312.251 4.226 20 10 DICDMN COC[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2C)c1ccc(C)o1 ZINC001254721950 1062243284 /nfs/dbraw/zinc/24/32/84/1062243284.db2.gz XBRISWFGCYHALY-SNPRPXQTSA-N 0 1 315.413 4.128 20 10 DICDMN [O-]c1cc(Br)ccc1C[NH+]1CC(C2CCCCC2)C1 ZINC001474568747 1062274784 /nfs/dbraw/zinc/27/47/84/1062274784.db2.gz KTPYNBLNMMEYFT-UHFFFAOYSA-N 0 1 324.262 4.167 20 10 DICDMN CC1(C)C[C@@]1([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001474647601 1062373587 /nfs/dbraw/zinc/37/35/87/1062373587.db2.gz QUWWQQYTHUAALZ-GOSISDBHSA-N 0 1 301.817 4.461 20 10 DICDMN [O-]c1c(C[NH+]2CC(Cc3cccs3)C2)ccc2ccccc21 ZINC001474655899 1062385899 /nfs/dbraw/zinc/38/58/99/1062385899.db2.gz YTLFKDNCHMLBTN-UHFFFAOYSA-N 0 1 309.434 4.281 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c1[O-] ZINC001459790405 1062402276 /nfs/dbraw/zinc/40/22/76/1062402276.db2.gz DNENQBFYKHLYKV-DLBZAZTESA-N 0 1 321.436 4.428 20 10 DICDMN CSCC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001474732628 1062453204 /nfs/dbraw/zinc/45/32/04/1062453204.db2.gz BQBMTSSDVGXIEK-UHFFFAOYSA-N 0 1 301.455 4.120 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1cc(F)ccc1N(C)C ZINC001474760124 1062469819 /nfs/dbraw/zinc/46/98/19/1062469819.db2.gz HHZOWZURNHHOCG-LLVKDONJSA-N 0 1 322.811 4.102 20 10 DICDMN Cc1ccc(-c2nnc(-c3cc(O)c(O)c(Cl)c3)o2)cc1C ZINC001256603178 1062911966 /nfs/dbraw/zinc/91/19/66/1062911966.db2.gz JOYBGNRFNRUEOJ-UHFFFAOYSA-N 0 1 316.744 4.085 20 10 DICDMN CC[C@@H](C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC001472600226 1063106202 /nfs/dbraw/zinc/10/62/02/1063106202.db2.gz SWBMKVBDFATLKL-SNVBAGLBSA-N 0 1 303.333 4.003 20 10 DICDMN Cc1ccc(C)c([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)c1 ZINC001461399051 1063471284 /nfs/dbraw/zinc/47/12/84/1063471284.db2.gz DRLXZZZTOYJWAZ-CQSZACIVSA-N 0 1 318.411 4.498 20 10 DICDMN Cc1ccccc1[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001473174192 1063480136 /nfs/dbraw/zinc/48/01/36/1063480136.db2.gz VHKLOAHHVLFPBZ-UWJYYQICSA-N 0 1 324.468 4.023 20 10 DICDMN Clc1ccccc1C1(NCc2ccc3c(c2)CCO3)CCC1 ZINC001461616489 1063614573 /nfs/dbraw/zinc/61/45/73/1063614573.db2.gz LVJASQOHVHWMBI-UHFFFAOYSA-N 0 1 313.828 4.444 20 10 DICDMN Cc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1C1CC1 ZINC001461615478 1063615522 /nfs/dbraw/zinc/61/55/22/1063615522.db2.gz MSHHHYXZKKCGJJ-UHFFFAOYSA-N 0 1 317.383 4.224 20 10 DICDMN CCOc1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC001461682782 1063654556 /nfs/dbraw/zinc/65/45/56/1063654556.db2.gz IGMNPTUYRLIMBQ-UHFFFAOYSA-N 0 1 324.424 4.376 20 10 DICDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001461843887 1063746886 /nfs/dbraw/zinc/74/68/86/1063746886.db2.gz MVHFAZUFQINQAU-LLVKDONJSA-N 0 1 305.780 4.304 20 10 DICDMN Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001461915892 1063798865 /nfs/dbraw/zinc/79/88/65/1063798865.db2.gz SXFZMCSNVJZAIO-MRXNPFEDSA-N 0 1 317.379 4.186 20 10 DICDMN CCc1oc2ccccc2c1C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001462008745 1063876540 /nfs/dbraw/zinc/87/65/40/1063876540.db2.gz MSKMHGZKLZURFJ-UHFFFAOYSA-N 0 1 313.372 4.472 20 10 DICDMN CSCc1cccc(C[NH2+]Cc2ccc(Cl)cc2[O-])c1 ZINC001462118612 1063938604 /nfs/dbraw/zinc/93/86/04/1063938604.db2.gz RTHXBRLGGKBICP-UHFFFAOYSA-N 0 1 307.846 4.198 20 10 DICDMN Cc1cnc([C@H](NCc2ccc3c(c2)CCCO3)C2CC2)s1 ZINC001262192544 1063959029 /nfs/dbraw/zinc/95/90/29/1063959029.db2.gz JFMQYKKKVZBNNP-QGZVFWFLSA-N 0 1 314.454 4.017 20 10 DICDMN CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001307657301 1065546781 /nfs/dbraw/zinc/54/67/81/1065546781.db2.gz MGQQOAKFDKWUKO-SUMWQHHRSA-N 0 1 307.409 4.182 20 10 DICDMN CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001307657298 1065546968 /nfs/dbraw/zinc/54/69/68/1065546968.db2.gz MGQQOAKFDKWUKO-CXAGYDPISA-N 0 1 307.409 4.182 20 10 DICDMN Cc1cc(O)c(CNCc2ccc([C@H]3C[C@H]3C)o2)c(Cl)c1 ZINC001308207963 1065814140 /nfs/dbraw/zinc/81/41/40/1065814140.db2.gz JLMLONHOCOFCPX-YPMHNXCESA-N 0 1 305.805 4.360 20 10 DICDMN Cc1cc(O)c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c(Cl)c1 ZINC001308207962 1065815443 /nfs/dbraw/zinc/81/54/43/1065815443.db2.gz JLMLONHOCOFCPX-WCQYABFASA-N 0 1 305.805 4.360 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCC2Cc3ccccc3C2)c(Cl)c1 ZINC001308371627 1065947243 /nfs/dbraw/zinc/94/72/43/1065947243.db2.gz ISUWXBQVILGXLT-UHFFFAOYSA-N 0 1 315.844 4.249 20 10 DICDMN CCCOc1ccc(CNCc2cc(OC)ccc2F)cc1C ZINC001308472255 1066012725 /nfs/dbraw/zinc/01/27/25/1066012725.db2.gz ONXGUHWRXQXYRY-UHFFFAOYSA-N 0 1 317.404 4.221 20 10 DICDMN C[C@H](NCc1csc(-c2ccsc2)n1)c1ccccc1O ZINC001308506968 1066033806 /nfs/dbraw/zinc/03/38/06/1066033806.db2.gz WBNYVCSZVNABNE-NSHDSACASA-N 0 1 316.451 4.428 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001308512314 1066039820 /nfs/dbraw/zinc/03/98/20/1066039820.db2.gz INVLJRNBVKVYTH-CZUORRHYSA-N 0 1 323.770 4.184 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC[C@H]1c1ccccc1 ZINC001308564008 1066072152 /nfs/dbraw/zinc/07/21/52/1066072152.db2.gz CKHYIKJFBYVRQI-XJKSGUPXSA-N 0 1 317.379 4.296 20 10 DICDMN CCS[C@@H]1CCCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001308566987 1066074550 /nfs/dbraw/zinc/07/45/50/1066074550.db2.gz HGSXVSKXFJXMCT-CYBMUJFWSA-N 0 1 313.894 4.462 20 10 DICDMN CCS[C@@H]1CCCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001308566987 1066074562 /nfs/dbraw/zinc/07/45/62/1066074562.db2.gz HGSXVSKXFJXMCT-CYBMUJFWSA-N 0 1 313.894 4.462 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1c1ccccc1 ZINC001308566555 1066076496 /nfs/dbraw/zinc/07/64/96/1066076496.db2.gz ZUSQZCJFXUJVIJ-DYVFJYSZSA-N 0 1 317.379 4.296 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1c1ccccc1 ZINC001308566556 1066076555 /nfs/dbraw/zinc/07/65/55/1066076555.db2.gz ZUSQZCJFXUJVIJ-GUYCJALGSA-N 0 1 317.379 4.296 20 10 DICDMN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308572576 1066083243 /nfs/dbraw/zinc/08/32/43/1066083243.db2.gz HAKPCLMGDYKCNW-GTNSWQLSSA-N 0 1 321.342 4.393 20 10 DICDMN C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001308574495 1066086306 /nfs/dbraw/zinc/08/63/06/1066086306.db2.gz VXWAIHQZIJQQKQ-SJKOYZFVSA-N 0 1 303.352 4.254 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC001308594818 1066106776 /nfs/dbraw/zinc/10/67/76/1066106776.db2.gz RPOUIBFOZCCBNG-ZBFHGGJFSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC001308594818 1066106780 /nfs/dbraw/zinc/10/67/80/1066106780.db2.gz RPOUIBFOZCCBNG-ZBFHGGJFSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1Cl ZINC001308594813 1066107252 /nfs/dbraw/zinc/10/72/52/1066107252.db2.gz RPOUIBFOZCCBNG-GDBMZVCRSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1Cl ZINC001308594813 1066107256 /nfs/dbraw/zinc/10/72/56/1066107256.db2.gz RPOUIBFOZCCBNG-GDBMZVCRSA-N 0 1 311.878 4.214 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCOCc2ccccc2)cc1Cl ZINC001308602634 1066111886 /nfs/dbraw/zinc/11/18/86/1066111886.db2.gz FHXGTDQXDFXCHZ-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCOCc2ccccc2)cc1Cl ZINC001308602634 1066111889 /nfs/dbraw/zinc/11/18/89/1066111889.db2.gz FHXGTDQXDFXCHZ-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1c1ccccc1 ZINC001308608847 1066115221 /nfs/dbraw/zinc/11/52/21/1066115221.db2.gz KTLRRBUEZQGDLH-BZNIZROVSA-N 0 1 305.780 4.378 20 10 DICDMN C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1c([O-])cccc1Br ZINC001308619183 1066121738 /nfs/dbraw/zinc/12/17/38/1066121738.db2.gz JYFVXSCSJRLWAQ-NWDGAFQWSA-N 0 1 312.251 4.165 20 10 DICDMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1c([O-])cccc1Br ZINC001308619183 1066121740 /nfs/dbraw/zinc/12/17/40/1066121740.db2.gz JYFVXSCSJRLWAQ-NWDGAFQWSA-N 0 1 312.251 4.165 20 10 DICDMN C[C@@H]1CCC[C@H](C)[N@H+](Cc2c([O-])cccc2Br)C1 ZINC001308619182 1066122251 /nfs/dbraw/zinc/12/22/51/1066122251.db2.gz JYFVXSCSJRLWAQ-NEPJUHHUSA-N 0 1 312.251 4.165 20 10 DICDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC001308619182 1066122253 /nfs/dbraw/zinc/12/22/53/1066122253.db2.gz JYFVXSCSJRLWAQ-NEPJUHHUSA-N 0 1 312.251 4.165 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CCc2cccc(F)c2[C@@H]1C ZINC001308624381 1066123869 /nfs/dbraw/zinc/12/38/69/1066123869.db2.gz MBISIFOTCZOSRL-HNNXBMFYSA-N 0 1 312.432 4.319 20 10 DICDMN [O-]c1ccccc1C[N@H+](CC1CCSCC1)C1CCCC1 ZINC001308634147 1066128738 /nfs/dbraw/zinc/12/87/38/1066128738.db2.gz NPRQSYXEESHSFX-UHFFFAOYSA-N 0 1 305.487 4.280 20 10 DICDMN [O-]c1ccccc1C[N@@H+](CC1CCSCC1)C1CCCC1 ZINC001308634147 1066128742 /nfs/dbraw/zinc/12/87/42/1066128742.db2.gz NPRQSYXEESHSFX-UHFFFAOYSA-N 0 1 305.487 4.280 20 10 DICDMN C=Cc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC001308775974 1066247246 /nfs/dbraw/zinc/24/72/46/1066247246.db2.gz CDAQXHDITXAAQZ-UHFFFAOYSA-N 0 1 301.817 4.329 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC001308781080 1066254975 /nfs/dbraw/zinc/25/49/75/1066254975.db2.gz YYDXATFHVUGMDU-LBPRGKRZSA-N 0 1 305.830 4.025 20 10 DICDMN CC1(C2CC2)CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC001308791299 1066265786 /nfs/dbraw/zinc/26/57/86/1066265786.db2.gz CURKPBYRHXIZPM-UHFFFAOYSA-N 0 1 324.262 4.167 20 10 DICDMN [O-]c1cccc(Br)c1C[NH+](C1CCC1)C1CCC1 ZINC001308791319 1066266175 /nfs/dbraw/zinc/26/61/75/1066266175.db2.gz CYRVSXNVJMADKC-UHFFFAOYSA-N 0 1 310.235 4.062 20 10 DICDMN CC(C)[C@@H]1[N@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001308791490 1066266298 /nfs/dbraw/zinc/26/62/98/1066266298.db2.gz OPNUUHAHOWPDMQ-HNNXBMFYSA-N 0 1 324.262 4.165 20 10 DICDMN CC(C)[C@@H]1[N@@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001308791490 1066266306 /nfs/dbraw/zinc/26/63/06/1066266306.db2.gz OPNUUHAHOWPDMQ-HNNXBMFYSA-N 0 1 324.262 4.165 20 10 DICDMN COc1ccc([C@H](NCc2ccc(C)cc2O)c2ccco2)cc1 ZINC001308820846 1066296553 /nfs/dbraw/zinc/29/65/53/1066296553.db2.gz OUSCUOFOCGFISA-FQEVSTJZSA-N 0 1 323.392 4.181 20 10 DICDMN Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001308825067 1066301586 /nfs/dbraw/zinc/30/15/86/1066301586.db2.gz IPJLFQOPXDSXPQ-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN [O-]c1cccc(Br)c1C[NH+]1CCC(C2CCC2)CC1 ZINC001308854327 1066334692 /nfs/dbraw/zinc/33/46/92/1066334692.db2.gz GCVJTOUAPHUMPR-UHFFFAOYSA-N 0 1 324.262 4.167 20 10 DICDMN CC(C)c1ccc(O)c(CN[C@H](CF)c2ccc(F)cc2)c1 ZINC001308908663 1066385006 /nfs/dbraw/zinc/38/50/06/1066385006.db2.gz IBKXGNJSLJNVDB-QGZVFWFLSA-N 0 1 305.368 4.455 20 10 DICDMN CC(C)n1cc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000061682650 184182136 /nfs/dbraw/zinc/18/21/36/184182136.db2.gz ZOMVGPJZFBYRNI-UHFFFAOYSA-N 0 1 300.189 4.089 20 10 DICDMN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273430399 130120742 /nfs/dbraw/zinc/12/07/42/130120742.db2.gz VLHPDOJSFDSIII-VXGBXAGGSA-N 0 1 305.805 4.466 20 10 DICDMN Cc1ccc([C@@H](C)NCc2nc(C3CC3)cs2)c(O)c1C ZINC000273445461 130122819 /nfs/dbraw/zinc/12/28/19/130122819.db2.gz DZXNODCREOPLES-GFCCVEGCSA-N 0 1 302.443 4.194 20 10 DICDMN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273456954 130124454 /nfs/dbraw/zinc/12/44/54/130124454.db2.gz PTMNQLUYFZERIX-ZETCQYMHSA-N 0 1 314.216 4.222 20 10 DICDMN CCc1nc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273571640 130138328 /nfs/dbraw/zinc/13/83/28/130138328.db2.gz KURFXLBNLLALMD-OLZOCXBDSA-N 0 1 304.459 4.440 20 10 DICDMN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000273590489 130141576 /nfs/dbraw/zinc/14/15/76/130141576.db2.gz PAGVHYANKQXSBR-VXGBXAGGSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000273621754 130146904 /nfs/dbraw/zinc/14/69/04/130146904.db2.gz ZGNLQHCSTOEAER-BONVTDFDSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(Cl)ccc1[O-] ZINC000273621751 130146940 /nfs/dbraw/zinc/14/69/40/130146940.db2.gz ZGNLQHCSTOEAER-BMIGLBTASA-N 0 1 303.789 4.089 20 10 DICDMN CCc1cnc(CN[C@H](C)c2ccc3ccccc3c2O)s1 ZINC000185584482 333370552 /nfs/dbraw/zinc/37/05/52/333370552.db2.gz XCEJVVGIZONBEJ-GFCCVEGCSA-N 0 1 312.438 4.415 20 10 DICDMN CC[C@@H](N[C@H](COC)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000156447802 522945197 /nfs/dbraw/zinc/94/51/97/522945197.db2.gz FXBPAFLISDMQES-QZTJIDSGSA-N 0 1 316.445 4.082 20 10 DICDMN COc1ccc(O)c([C@H](C)NCc2c(F)cccc2Cl)c1 ZINC000182442656 524773099 /nfs/dbraw/zinc/77/30/99/524773099.db2.gz RIDNGXLIBJUNLC-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN C[C@H](N[C@H]1CCOc2c(F)cccc21)c1ccc(N(C)C)cc1 ZINC000188052583 525627608 /nfs/dbraw/zinc/62/76/08/525627608.db2.gz MYKFDLUTNVIZFX-UGSOOPFHSA-N 0 1 314.404 4.066 20 10 DICDMN CCN(C)c1ccc([C@H](C)N[C@@H](CCOC)c2ccco2)cc1 ZINC000272485732 535765243 /nfs/dbraw/zinc/76/52/43/535765243.db2.gz BPXNCJMGIKXYGV-YJBOKZPZSA-N 0 1 316.445 4.164 20 10 DICDMN CC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC001205046529 1049351622 /nfs/dbraw/zinc/35/16/22/1049351622.db2.gz QVLQHHXMNCKZOX-ZDUSSCGKSA-N 0 1 312.251 4.228 20 10 DICDMN CC(C)CCOC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000121614150 1035509149 /nfs/dbraw/zinc/50/91/49/1035509149.db2.gz YXFJBFALVRXWLM-UHFFFAOYSA-N 0 1 311.853 4.073 20 10 DICDMN Oc1ccccc1C[N@H+](C[C@H](O)CC1CCCC1)C1CCCC1 ZINC001167353939 1036950651 /nfs/dbraw/zinc/95/06/51/1036950651.db2.gz SQFQSTYRUZDWQM-LJQANCHMSA-N 0 1 317.473 4.078 20 10 DICDMN CC(C)CCC[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706804369 1037450266 /nfs/dbraw/zinc/45/02/66/1037450266.db2.gz JJUFKNLADPZSCL-GFCCVEGCSA-N 0 1 314.267 4.459 20 10 DICDMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000277247834 1038467938 /nfs/dbraw/zinc/46/79/38/1038467938.db2.gz NTJZHQPWPNHFAG-ZLKJLUDKSA-N 0 1 316.449 4.052 20 10 DICDMN C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000230659033 1038621560 /nfs/dbraw/zinc/62/15/60/1038621560.db2.gz MPRIIOUDZNZTFT-SNVBAGLBSA-N 0 1 315.360 4.449 20 10 DICDMN C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)c1cnccn1 ZINC000119347939 1038917881 /nfs/dbraw/zinc/91/78/81/1038917881.db2.gz GOTSDGXXJPIYLU-INIZCTEOSA-N 0 1 324.472 4.096 20 10 DICDMN CCC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000708481336 1039654757 /nfs/dbraw/zinc/65/47/57/1039654757.db2.gz CGKNXBPYXCOEIC-LBPRGKRZSA-N 0 1 312.251 4.167 20 10 DICDMN CCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000708481336 1039654766 /nfs/dbraw/zinc/65/47/66/1039654766.db2.gz CGKNXBPYXCOEIC-LBPRGKRZSA-N 0 1 312.251 4.167 20 10 DICDMN CCC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000708481336 1039654773 /nfs/dbraw/zinc/65/47/73/1039654773.db2.gz CGKNXBPYXCOEIC-LBPRGKRZSA-N 0 1 312.251 4.167 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2cc(F)ccc2OC)cc1 ZINC000187592886 1039999582 /nfs/dbraw/zinc/99/95/82/1039999582.db2.gz LHOKUIIBOQMYAV-AWEZNQCLSA-N 0 1 316.420 4.141 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NCc2cc(F)ccc2OC)cc1 ZINC000187592866 1039999955 /nfs/dbraw/zinc/99/99/55/1039999955.db2.gz LHOKUIIBOQMYAV-CQSZACIVSA-N 0 1 316.420 4.141 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2c(C)noc2C)cc1F ZINC000152254664 1040006672 /nfs/dbraw/zinc/00/66/72/1040006672.db2.gz MWQDFRNGTOSQKT-LBPRGKRZSA-N 0 1 319.424 4.128 20 10 DICDMN CCCC[N@H+](CCCc1cnccc1C)Cc1ccccc1[O-] ZINC000809663488 1041220258 /nfs/dbraw/zinc/22/02/58/1041220258.db2.gz QBHVDMCOHLBXCQ-UHFFFAOYSA-N 0 1 312.457 4.331 20 10 DICDMN CCCC[N@@H+](CCCc1cnccc1C)Cc1ccccc1[O-] ZINC000809663488 1041220272 /nfs/dbraw/zinc/22/02/72/1041220272.db2.gz QBHVDMCOHLBXCQ-UHFFFAOYSA-N 0 1 312.457 4.331 20 10 DICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809765323 1041251881 /nfs/dbraw/zinc/25/18/81/1041251881.db2.gz MSSSOKLRVYHEPE-OAHLLOKOSA-N 0 1 308.784 4.163 20 10 DICDMN CC[C@@H](NCc1cscn1)c1ccc(C(F)(F)F)cc1O ZINC000810215145 1041337185 /nfs/dbraw/zinc/33/71/85/1041337185.db2.gz RWEPVAKIFFPGJN-GFCCVEGCSA-N 0 1 316.348 4.108 20 10 DICDMN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810212224 1041337915 /nfs/dbraw/zinc/33/79/15/1041337915.db2.gz OGINIIXMSPRVER-OCCSQVGLSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@H]([NH2+][C@H](C)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217784 1041338642 /nfs/dbraw/zinc/33/86/42/1041338642.db2.gz BHHAFWHYEBKPQO-SKDRFNHKSA-N 0 1 307.381 4.203 20 10 DICDMN CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229978 1041343233 /nfs/dbraw/zinc/34/32/33/1041343233.db2.gz AKNDPEYZOHGZSH-CYBMUJFWSA-N 0 1 319.367 4.267 20 10 DICDMN CC[C@H]([NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207805 1041346965 /nfs/dbraw/zinc/34/69/65/1041346965.db2.gz OGUHITHQBLVYGT-AWEZNQCLSA-N 0 1 310.319 4.047 20 10 DICDMN CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207808 1041347817 /nfs/dbraw/zinc/34/78/17/1041347817.db2.gz OGUHITHQBLVYGT-CQSZACIVSA-N 0 1 310.319 4.047 20 10 DICDMN CC[C@@H]([NH2+]CC1(SC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237828 1041353699 /nfs/dbraw/zinc/35/36/99/1041353699.db2.gz KMKPYFPZIANECV-GFCCVEGCSA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239053 1041353932 /nfs/dbraw/zinc/35/39/32/1041353932.db2.gz RCRYCBXDVUMROT-GXTWGEPZSA-N 0 1 315.335 4.144 20 10 DICDMN COc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)cc1C ZINC000378883316 1041398043 /nfs/dbraw/zinc/39/80/43/1041398043.db2.gz GIFRZPZIAVFOAW-ZDUSSCGKSA-N 0 1 321.367 4.456 20 10 DICDMN Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185501468 1041615658 /nfs/dbraw/zinc/61/56/58/1041615658.db2.gz YRLNNBWXNDJLSU-OLZOCXBDSA-N 0 1 324.424 4.432 20 10 DICDMN CCOCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000185749077 1041620785 /nfs/dbraw/zinc/62/07/85/1041620785.db2.gz IAMOOIIFNOGCPO-CQSZACIVSA-N 0 1 309.425 4.169 20 10 DICDMN Cc1ccc([C@@H](C)NCc2csc(-c3ccco3)n2)c(O)c1 ZINC000185804127 1041621320 /nfs/dbraw/zinc/62/13/20/1041621320.db2.gz ICZTVMJEFNGBGY-GFCCVEGCSA-N 0 1 314.410 4.268 20 10 DICDMN C[C@H](NCc1csc(-c2ccco2)n1)c1cc(F)ccc1O ZINC000185804319 1041621705 /nfs/dbraw/zinc/62/17/05/1041621705.db2.gz IUTWQKOFSHCWRW-JTQLQIEISA-N 0 1 318.373 4.099 20 10 DICDMN CCCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000728775121 1041671786 /nfs/dbraw/zinc/67/17/86/1041671786.db2.gz KIXDPHHNLOYMJC-UHFFFAOYSA-N 0 1 305.805 4.124 20 10 DICDMN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191283447 1041725574 /nfs/dbraw/zinc/72/55/74/1041725574.db2.gz MDNNNGLSSKUDMV-UHFFFAOYSA-N 0 1 318.420 4.320 20 10 DICDMN Cc1nc(C)c([C@H](C)N(C)Cc2c(O)cccc2Cl)s1 ZINC000123171893 1041733672 /nfs/dbraw/zinc/73/36/72/1041733672.db2.gz RXCWCPXCIDCWOP-JTQLQIEISA-N 0 1 310.850 4.312 20 10 DICDMN CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000813872614 1041740540 /nfs/dbraw/zinc/74/05/40/1041740540.db2.gz IEKPWTUALWZLQY-GFCCVEGCSA-N 0 1 323.305 4.497 20 10 DICDMN CC[C@@H]([NH2+]CC(C)(C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000813882756 1041742276 /nfs/dbraw/zinc/74/22/76/1041742276.db2.gz JNZZOPJUTWVDNF-CYBMUJFWSA-N 0 1 319.367 4.124 20 10 DICDMN COc1ccc(O)c(CNCc2cc(Cl)sc2Cl)c1 ZINC000312740777 1041779510 /nfs/dbraw/zinc/77/95/10/1041779510.db2.gz CXASSYOLDQDRIP-UHFFFAOYSA-N 0 1 318.225 4.059 20 10 DICDMN C[C@@]12CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]1C2(F)F ZINC000814169260 1041783309 /nfs/dbraw/zinc/78/33/09/1041783309.db2.gz FUDVOEKJWSXSOC-WCQYABFASA-N 0 1 322.182 4.176 20 10 DICDMN CCOCCC1(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])CC1 ZINC000775523821 1041827574 /nfs/dbraw/zinc/82/75/74/1041827574.db2.gz NVTMGNSUWQSWHJ-HNNXBMFYSA-N 0 1 311.853 4.293 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc2ccccc2c1[O-] ZINC000815642990 1041983115 /nfs/dbraw/zinc/98/31/15/1041983115.db2.gz QJUIXCOOBXGCSS-QWHCGFSZSA-N 0 1 308.381 4.058 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000815648645 1041984821 /nfs/dbraw/zinc/98/48/21/1041984821.db2.gz SOXRQYPLNBZUFW-JDFRZJQESA-N 0 1 301.817 4.500 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1[O-] ZINC000748050995 1042030731 /nfs/dbraw/zinc/03/07/31/1042030731.db2.gz LVZJDWKPHVFJOD-GOSISDBHSA-N 0 1 313.372 4.071 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1[O-] ZINC000748050995 1042030738 /nfs/dbraw/zinc/03/07/38/1042030738.db2.gz LVZJDWKPHVFJOD-GOSISDBHSA-N 0 1 313.372 4.071 20 10 DICDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccccc2)c1O ZINC000748050995 1042030742 /nfs/dbraw/zinc/03/07/42/1042030742.db2.gz LVZJDWKPHVFJOD-GOSISDBHSA-N 0 1 313.372 4.071 20 10 DICDMN C[N@H+](CCOc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816478203 1042055545 /nfs/dbraw/zinc/05/55/45/1042055545.db2.gz YFMWZOKCNADRBK-UHFFFAOYSA-N 0 1 307.393 4.056 20 10 DICDMN C[N@@H+](CCOc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816478203 1042055552 /nfs/dbraw/zinc/05/55/52/1042055552.db2.gz YFMWZOKCNADRBK-UHFFFAOYSA-N 0 1 307.393 4.056 20 10 DICDMN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816482684 1042055588 /nfs/dbraw/zinc/05/55/88/1042055588.db2.gz OYLKIAGLRPNKOY-IBGZPJMESA-N 0 1 306.409 4.221 20 10 DICDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816482684 1042055598 /nfs/dbraw/zinc/05/55/98/1042055598.db2.gz OYLKIAGLRPNKOY-IBGZPJMESA-N 0 1 306.409 4.221 20 10 DICDMN COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816481155 1042056199 /nfs/dbraw/zinc/05/61/99/1042056199.db2.gz KSGGDRKONGDXTA-UHFFFAOYSA-N 0 1 307.393 4.186 20 10 DICDMN COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2[O-])cc1 ZINC000816481155 1042056204 /nfs/dbraw/zinc/05/62/04/1042056204.db2.gz KSGGDRKONGDXTA-UHFFFAOYSA-N 0 1 307.393 4.186 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000816496274 1042057236 /nfs/dbraw/zinc/05/72/36/1042057236.db2.gz CTTJWFSAYXTDRY-MRXNPFEDSA-N 0 1 321.779 4.227 20 10 DICDMN C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc2ccccc2c1[O-] ZINC000816485470 1042057805 /nfs/dbraw/zinc/05/78/05/1042057805.db2.gz OCANWKSOUYERRU-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc2ccccc2c1[O-] ZINC000816485470 1042057809 /nfs/dbraw/zinc/05/78/09/1042057809.db2.gz OCANWKSOUYERRU-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])n1 ZINC000816512717 1042062045 /nfs/dbraw/zinc/06/20/45/1042062045.db2.gz RPFAMPKIAKCMRU-INIZCTEOSA-N 0 1 320.795 4.225 20 10 DICDMN CO[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816537517 1042063465 /nfs/dbraw/zinc/06/34/65/1042063465.db2.gz IANJEHADOORIGW-LJQANCHMSA-N 0 1 307.393 4.023 20 10 DICDMN [O-]c1c(C[NH2+][C@H]2CCOc3c(F)cccc32)ccc2ccccc21 ZINC000816586130 1042066123 /nfs/dbraw/zinc/06/61/23/1042066123.db2.gz ASSNCPZLHUMMLV-SFHVURJKSA-N 0 1 323.367 4.298 20 10 DICDMN CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816555263 1042067005 /nfs/dbraw/zinc/06/70/05/1042067005.db2.gz YQCORIOIEAHRKP-YLJYHZDGSA-N 0 1 313.441 4.086 20 10 DICDMN Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557864 1042067145 /nfs/dbraw/zinc/06/71/45/1042067145.db2.gz DZKJSGAQPQDTKV-LBPRGKRZSA-N 0 1 310.397 4.044 20 10 DICDMN CCO[C@H](CC[NH2+]Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816555798 1042067227 /nfs/dbraw/zinc/06/72/27/1042067227.db2.gz QDSLAEYFYOQSBU-GOSISDBHSA-N 0 1 301.430 4.086 20 10 DICDMN CCOCCC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816558008 1042067843 /nfs/dbraw/zinc/06/78/43/1042067843.db2.gz JHVBVUCQRGQYBT-UHFFFAOYSA-N 0 1 313.441 4.232 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)ccc2ccccc21 ZINC000816592161 1042068012 /nfs/dbraw/zinc/06/80/12/1042068012.db2.gz AXTQWBUSQNWATO-LBPRGKRZSA-N 0 1 309.331 4.320 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)ccc2ccccc21 ZINC000816592161 1042068017 /nfs/dbraw/zinc/06/80/17/1042068017.db2.gz AXTQWBUSQNWATO-LBPRGKRZSA-N 0 1 309.331 4.320 20 10 DICDMN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569817 1042070725 /nfs/dbraw/zinc/07/07/25/1042070725.db2.gz XQQDUDUJVRSJTP-BZNIZROVSA-N 0 1 320.795 4.163 20 10 DICDMN C[C@H]1CC(CC[NH2+]Cc2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000816601018 1042072255 /nfs/dbraw/zinc/07/22/55/1042072255.db2.gz ORAIEUIJSPVSSG-GJZGRUSLSA-N 0 1 313.441 4.229 20 10 DICDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612877 1042072800 /nfs/dbraw/zinc/07/28/00/1042072800.db2.gz ZWTNZJPLPGBTIB-OAHLLOKOSA-N 0 1 308.784 4.163 20 10 DICDMN CC1(C)CN(Cc2cc(Cl)c(F)cc2O)[C@@H]1c1cccnc1 ZINC000816616932 1042072902 /nfs/dbraw/zinc/07/29/02/1042072902.db2.gz JWVCVUKEARHZCX-MRXNPFEDSA-N 0 1 320.795 4.163 20 10 DICDMN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc2ccccc21 ZINC000816616161 1042073829 /nfs/dbraw/zinc/07/38/29/1042073829.db2.gz PPXSSQPJLSBYPT-AZUAARDMSA-N 0 1 323.436 4.079 20 10 DICDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc2ccccc21 ZINC000816616161 1042073833 /nfs/dbraw/zinc/07/38/33/1042073833.db2.gz PPXSSQPJLSBYPT-AZUAARDMSA-N 0 1 323.436 4.079 20 10 DICDMN [O-]c1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc2ccccc21 ZINC000816616163 1042073982 /nfs/dbraw/zinc/07/39/82/1042073982.db2.gz PPXSSQPJLSBYPT-QUCCMNQESA-N 0 1 323.436 4.079 20 10 DICDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc2ccccc21 ZINC000816616163 1042073986 /nfs/dbraw/zinc/07/39/86/1042073986.db2.gz PPXSSQPJLSBYPT-QUCCMNQESA-N 0 1 323.436 4.079 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Cl)c(Cl)c1[O-] ZINC000818615158 1042157727 /nfs/dbraw/zinc/15/77/27/1042157727.db2.gz MNXMEBBEHBGDQP-FRRDWIJNSA-N 0 1 317.260 4.010 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccs2)C(C)C)c1[O-] ZINC000314964315 1042182325 /nfs/dbraw/zinc/18/23/25/1042182325.db2.gz BAFDCIQVKYDUDO-UHFFFAOYSA-N 0 1 321.417 4.206 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+](Cc2cccs2)C(C)C)c1[O-] ZINC000314964315 1042182328 /nfs/dbraw/zinc/18/23/28/1042182328.db2.gz BAFDCIQVKYDUDO-UHFFFAOYSA-N 0 1 321.417 4.206 20 10 DICDMN CC(=O)c1cc(F)cc(CN(Cc2cccs2)C(C)C)c1O ZINC000314964315 1042182333 /nfs/dbraw/zinc/18/23/33/1042182333.db2.gz BAFDCIQVKYDUDO-UHFFFAOYSA-N 0 1 321.417 4.206 20 10 DICDMN C[N@@H+](Cc1ccccc1O)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170945746 1042212309 /nfs/dbraw/zinc/21/23/09/1042212309.db2.gz XOWMPNDSZTWLIB-HNNXBMFYSA-N 0 1 301.817 4.035 20 10 DICDMN C[C@H]([NH2+]CCOc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000390886598 1042244347 /nfs/dbraw/zinc/24/43/47/1042244347.db2.gz XEQNUPYIMKMGPA-HNNXBMFYSA-N 0 1 307.393 4.275 20 10 DICDMN Cc1cccc(CN[C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000278999865 1042258590 /nfs/dbraw/zinc/25/85/90/1042258590.db2.gz KKPDNNMAOJLRNE-VIFPVBQESA-N 0 1 316.348 4.027 20 10 DICDMN C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc2ccccc2c1[O-] ZINC000390982146 1042288039 /nfs/dbraw/zinc/28/80/39/1042288039.db2.gz IVKUWHKKURHDAL-HNNXBMFYSA-N 0 1 312.457 4.070 20 10 DICDMN CN(C)c1ccc(CN(C)Cc2ccc(Cl)cc2F)cc1 ZINC001137662569 1042323086 /nfs/dbraw/zinc/32/30/86/1042323086.db2.gz XXZFQKYTVWURHJ-UHFFFAOYSA-N 0 1 306.812 4.177 20 10 DICDMN C[C@H](N[C@@H](C)c1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000279599318 1042324520 /nfs/dbraw/zinc/32/45/20/1042324520.db2.gz WBHGBGXGUIERAQ-IUCAKERBSA-N 0 1 316.348 4.279 20 10 DICDMN COc1ccc(F)c(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000094855126 1042332818 /nfs/dbraw/zinc/33/28/18/1042332818.db2.gz PQLYWCMFLGHHCG-UHFFFAOYSA-N 0 1 316.159 4.459 20 10 DICDMN CCN(CC)c1ccc(CN[C@H]2CCCc3occc32)cc1F ZINC000236977021 1042443157 /nfs/dbraw/zinc/44/31/57/1042443157.db2.gz VQRDPLDCGYGIHC-KRWDZBQOSA-N 0 1 316.420 4.432 20 10 DICDMN COc1cc(C)cc(CN[C@H](C)c2c(F)cccc2Cl)c1O ZINC000894323220 1042844914 /nfs/dbraw/zinc/84/49/14/1042844914.db2.gz LELWCNRLSKDYNU-LLVKDONJSA-N 0 1 323.795 4.353 20 10 DICDMN Cc1ccc2oc(CNCc3ccc4c(c3)CCCO4)cc2c1 ZINC001203144922 1042932433 /nfs/dbraw/zinc/93/24/33/1042932433.db2.gz UQBSPYRGSFOZOO-UHFFFAOYSA-N 0 1 307.393 4.356 20 10 DICDMN CC[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(C)cc1O ZINC000794807197 1043050870 /nfs/dbraw/zinc/05/08/70/1043050870.db2.gz WJMVSUYHNOHNNQ-IBGZPJMESA-N 0 1 321.424 4.127 20 10 DICDMN Cc1ccc([C@@H](C)NCc2nc(C(C)(C)C)cs2)c(O)c1 ZINC000185374325 1043200392 /nfs/dbraw/zinc/20/03/92/1043200392.db2.gz ZPYVMUWEBZVSOO-GFCCVEGCSA-N 0 1 304.459 4.305 20 10 DICDMN CC(C)c1csc(CN[C@H](C)c2cc(Cl)ccc2O)n1 ZINC000185807792 1043208278 /nfs/dbraw/zinc/20/82/78/1043208278.db2.gz ZTNHMWSHFRXLML-SNVBAGLBSA-N 0 1 310.850 4.476 20 10 DICDMN CCSc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000187787721 1043251449 /nfs/dbraw/zinc/25/14/49/1043251449.db2.gz RALSMSZWXZOUIJ-LLVKDONJSA-N 0 1 322.861 4.403 20 10 DICDMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(N2CCCCC2)cc1 ZINC000271527180 1043431915 /nfs/dbraw/zinc/43/19/15/1043431915.db2.gz QIROGHJPWYCCAN-DNVCBOLYSA-N 0 1 324.472 4.128 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1Cl ZINC000825633579 1043510026 /nfs/dbraw/zinc/51/00/26/1043510026.db2.gz BEZDLDLPFZZNGE-HNNXBMFYSA-N 0 1 321.779 4.107 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1Cl ZINC000825633580 1043510606 /nfs/dbraw/zinc/51/06/06/1043510606.db2.gz BEZDLDLPFZZNGE-OAHLLOKOSA-N 0 1 321.779 4.107 20 10 DICDMN CCCOc1ccc(CNCc2ccc(Cl)nc2)cc1C ZINC000873016341 1043514008 /nfs/dbraw/zinc/51/40/08/1043514008.db2.gz KLLUMSQQAJLNGX-UHFFFAOYSA-N 0 1 304.821 4.122 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000926949883 1043661151 /nfs/dbraw/zinc/66/11/51/1043661151.db2.gz OTMXRMGOULKHBY-ITDIGPHOSA-N 0 1 309.331 4.394 20 10 DICDMN [O-]c1c(C[NH+]2CCC3(CCCCO3)CC2)ccc2ccccc21 ZINC000895653647 1043726947 /nfs/dbraw/zinc/72/69/47/1043726947.db2.gz KEUHQPVCLYPUAV-UHFFFAOYSA-N 0 1 311.425 4.081 20 10 DICDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825935333 1043747898 /nfs/dbraw/zinc/74/78/98/1043747898.db2.gz QKBZEPUVMYPVJZ-OAHLLOKOSA-N 0 1 319.836 4.031 20 10 DICDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825935333 1043747902 /nfs/dbraw/zinc/74/79/02/1043747902.db2.gz QKBZEPUVMYPVJZ-OAHLLOKOSA-N 0 1 319.836 4.031 20 10 DICDMN Cc1ccc(CN[C@H](C)c2nc(C(F)(F)F)cs2)c(O)c1 ZINC000877482420 1043765969 /nfs/dbraw/zinc/76/59/69/1043765969.db2.gz IOOJUTUSEYCCHE-SECBINFHSA-N 0 1 316.348 4.027 20 10 DICDMN [O-]c1c(C[NH2+]Cc2nccc3c2CCCC3)ccc2ccccc21 ZINC000896281239 1043877643 /nfs/dbraw/zinc/87/76/43/1043877643.db2.gz MSCHRADKFVEXOQ-UHFFFAOYSA-N 0 1 318.420 4.109 20 10 DICDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290124275 1043919532 /nfs/dbraw/zinc/91/95/32/1043919532.db2.gz JDWUEPFWNSFMAF-TXEJJXNPSA-N 0 1 305.315 4.084 20 10 DICDMN C[C@@H](NCc1csc(C2CCCC2)n1)c1ccccc1O ZINC000879649274 1043979165 /nfs/dbraw/zinc/97/91/65/1043979165.db2.gz OTTYKDAPKLOJFQ-GFCCVEGCSA-N 0 1 302.443 4.357 20 10 DICDMN Cc1nc(CN[C@H](C)c2ccccc2O)sc1C(C)(C)C ZINC000931554031 1044044593 /nfs/dbraw/zinc/04/45/93/1044044593.db2.gz KGOSSKFCRLFOGX-LLVKDONJSA-N 0 1 304.459 4.305 20 10 DICDMN Cc1ccc([C@H](C)NCc2nsc3ccccc23)c(O)c1C ZINC000883403057 1044305123 /nfs/dbraw/zinc/30/51/23/1044305123.db2.gz JCGUQALTEZWNHT-ZDUSSCGKSA-N 0 1 312.438 4.470 20 10 DICDMN Cc1cc(CNC2(c3nccs3)CCCC2)ccc1N(C)C ZINC000293924261 1044353158 /nfs/dbraw/zinc/35/31/58/1044353158.db2.gz YFGJROYSDRRAOE-UHFFFAOYSA-N 0 1 315.486 4.077 20 10 DICDMN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000840858847 1044397257 /nfs/dbraw/zinc/39/72/57/1044397257.db2.gz HBQXUMSLFJBKMJ-YRVVQQKDSA-N 0 1 313.441 4.400 20 10 DICDMN C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc2ccccc2c1[O-] ZINC000192914114 1044402213 /nfs/dbraw/zinc/40/22/13/1044402213.db2.gz AGFJHTHISHINMR-KDOFPFPSSA-N 0 1 324.424 4.092 20 10 DICDMN CCC(CC)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000121146632 1044521177 /nfs/dbraw/zinc/52/11/77/1044521177.db2.gz BOVOPWZAFDUGFH-CQSZACIVSA-N 0 1 315.461 4.495 20 10 DICDMN C[C@@H](Nc1ccccc1OCCF)c1ccc(F)c(F)c1O ZINC000296245601 1044600685 /nfs/dbraw/zinc/60/06/85/1044600685.db2.gz AYYSTGZNNAZCAE-SNVBAGLBSA-N 0 1 311.303 4.192 20 10 DICDMN Cc1ccc([C@H](NCc2cc(C)ccc2O)c2ccccn2)cc1 ZINC000369546450 1044806776 /nfs/dbraw/zinc/80/67/76/1044806776.db2.gz ORLQSYKLFCYWRS-NRFANRHFSA-N 0 1 318.420 4.283 20 10 DICDMN Oc1ccccc1CN1CCCC[C@H]1c1ccc(F)cc1F ZINC000779035360 1045185929 /nfs/dbraw/zinc/18/59/29/1045185929.db2.gz ZBLWGCZYSILBHU-KRWDZBQOSA-N 0 1 303.352 4.398 20 10 DICDMN C[C@@H](NCc1ccc(Cl)cc1F)c1ccc(N(C)C)cc1 ZINC000779053887 1045220153 /nfs/dbraw/zinc/22/01/53/1045220153.db2.gz MSQLGIUWQFNTFL-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@H+](C)C(C3CC3)C3CC3)c2c1 ZINC000750604558 1045538004 /nfs/dbraw/zinc/53/80/04/1045538004.db2.gz VNYZQILRDPSDCP-UHFFFAOYSA-N 0 1 311.425 4.174 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@@H+](C)C(C3CC3)C3CC3)c2c1 ZINC000750604558 1045538018 /nfs/dbraw/zinc/53/80/18/1045538018.db2.gz VNYZQILRDPSDCP-UHFFFAOYSA-N 0 1 311.425 4.174 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(C)(C)C)c1[O-] ZINC001307504701 1045558530 /nfs/dbraw/zinc/55/85/30/1045558530.db2.gz BGQRRKAHLOTVQX-HNNXBMFYSA-N 0 1 309.837 4.259 20 10 DICDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)c2c1c(F)ccc2[O-] ZINC000800494525 1045632584 /nfs/dbraw/zinc/63/25/84/1045632584.db2.gz XETVRVPVUXPUMG-MDZLAQPJSA-N 0 1 313.363 4.495 20 10 DICDMN C[C@@H](NCc1ccc(Cl)nc1Cl)c1ccc(N(C)C)cc1 ZINC000801544231 1045735239 /nfs/dbraw/zinc/73/52/39/1045735239.db2.gz DNPJGNHDOIRCHL-LLVKDONJSA-N 0 1 324.255 4.305 20 10 DICDMN CCCCN(Cc1cnc(Cl)s1)Cc1ccccc1O ZINC000801599281 1045752992 /nfs/dbraw/zinc/75/29/92/1045752992.db2.gz IURXUSHZLUYKDU-UHFFFAOYSA-N 0 1 310.850 4.304 20 10 DICDMN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000754857316 1045933516 /nfs/dbraw/zinc/93/35/16/1045933516.db2.gz OYTSTVLEJDTDGR-VBKFSLOCSA-N 0 1 318.420 4.476 20 10 DICDMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000754857316 1045933531 /nfs/dbraw/zinc/93/35/31/1045933531.db2.gz OYTSTVLEJDTDGR-VBKFSLOCSA-N 0 1 318.420 4.476 20 10 DICDMN COc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000192870744 1045946778 /nfs/dbraw/zinc/94/67/78/1045946778.db2.gz KJKWJYLYRIQOCE-CQSZACIVSA-N 0 1 307.393 4.405 20 10 DICDMN C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000802308907 1045952299 /nfs/dbraw/zinc/95/22/99/1045952299.db2.gz KPOMXRWSKWYYQZ-XJFOESAGSA-N 0 1 311.853 4.290 20 10 DICDMN Cc1cc(CN(C)Cc2ccccn2)c(C)n1-c1ccccc1 ZINC001137854484 1045984872 /nfs/dbraw/zinc/98/48/72/1045984872.db2.gz YHUGDMPEQSUQOX-UHFFFAOYSA-N 0 1 305.425 4.121 20 10 DICDMN C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCSC1 ZINC000755794890 1046016298 /nfs/dbraw/zinc/01/62/98/1046016298.db2.gz RUHPBHKROWSQSO-CYBMUJFWSA-N 0 1 313.422 4.229 20 10 DICDMN C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])[C@@H]1CCSC1 ZINC000755794890 1046016312 /nfs/dbraw/zinc/01/63/12/1046016312.db2.gz RUHPBHKROWSQSO-CYBMUJFWSA-N 0 1 313.422 4.229 20 10 DICDMN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)sc1C ZINC000756036746 1046041513 /nfs/dbraw/zinc/04/15/13/1046041513.db2.gz YTMWECZSMPNZIM-UHFFFAOYSA-N 0 1 317.502 4.237 20 10 DICDMN Oc1cccc2c1CN(Cc1cc3ccccc3nc1Cl)CC2 ZINC001137978264 1046042628 /nfs/dbraw/zinc/04/26/28/1046042628.db2.gz ADSNKLNVEGMIHM-UHFFFAOYSA-N 0 1 324.811 4.152 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000756147753 1046054844 /nfs/dbraw/zinc/05/48/44/1046054844.db2.gz UEEHWLGCCWTWTE-SECBINFHSA-N 0 1 306.258 4.026 20 10 DICDMN COc1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c1 ZINC000193703478 1046062911 /nfs/dbraw/zinc/06/29/11/1046062911.db2.gz FOWXMXZENZEUHK-CQSZACIVSA-N 0 1 307.393 4.405 20 10 DICDMN CC[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N1CCCC1 ZINC000756399254 1046075494 /nfs/dbraw/zinc/07/54/94/1046075494.db2.gz AGRKYPKFOCRVCV-RDJZCZTQSA-N 0 1 312.457 4.070 20 10 DICDMN CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756419287 1046079187 /nfs/dbraw/zinc/07/91/87/1046079187.db2.gz DXUFCJIZQPNZMV-LBPRGKRZSA-N 0 1 320.820 4.079 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000756473681 1046086864 /nfs/dbraw/zinc/08/68/64/1046086864.db2.gz DKQUJBQXMAWUNP-VXGBXAGGSA-N 0 1 310.235 4.162 20 10 DICDMN Cc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)C2CCC2)o1 ZINC000756496584 1046092415 /nfs/dbraw/zinc/09/24/15/1046092415.db2.gz PFHCKFWPFRZTLZ-IBGZPJMESA-N 0 1 316.420 4.424 20 10 DICDMN Cc1ccc([C@@H](C)NCc2nc(C)c3ccccc3n2)c(O)c1C ZINC000756528570 1046097022 /nfs/dbraw/zinc/09/70/22/1046097022.db2.gz NQUKKJAISFQSTL-CQSZACIVSA-N 0 1 321.424 4.111 20 10 DICDMN CCc1nc([C@H](C)N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cs1 ZINC000756568384 1046100300 /nfs/dbraw/zinc/10/03/00/1046100300.db2.gz DQSOVGFZHJTYIK-JFGNBEQYSA-N 0 1 320.433 4.449 20 10 DICDMN CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000756572564 1046102590 /nfs/dbraw/zinc/10/25/90/1046102590.db2.gz GPHVHWBQWUOETD-VXGBXAGGSA-N 0 1 307.825 4.235 20 10 DICDMN COc1cccc([C@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])c1 ZINC001138127447 1046102972 /nfs/dbraw/zinc/10/29/72/1046102972.db2.gz BUWCKDDBQOSBLN-GOSISDBHSA-N 0 1 315.388 4.267 20 10 DICDMN [O-]c1c(F)cccc1C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001138122406 1046103025 /nfs/dbraw/zinc/10/30/25/1046103025.db2.gz CDXPAKQXMOOGNZ-UHFFFAOYSA-N 0 1 322.383 4.129 20 10 DICDMN COc1cccc([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2[O-])c1 ZINC001138127448 1046103064 /nfs/dbraw/zinc/10/30/64/1046103064.db2.gz BUWCKDDBQOSBLN-SFHVURJKSA-N 0 1 315.388 4.267 20 10 DICDMN CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756584985 1046104984 /nfs/dbraw/zinc/10/49/84/1046104984.db2.gz IAKPTPFBOOYCFH-ZBFHGGJFSA-N 0 1 301.430 4.401 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001138131172 1046104994 /nfs/dbraw/zinc/10/49/94/1046104994.db2.gz SEKXJEZNMWBCDI-KRWDZBQOSA-N 0 1 315.388 4.015 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001138128355 1046105616 /nfs/dbraw/zinc/10/56/16/1046105616.db2.gz FHYZRPSBHFKZDF-HNNXBMFYSA-N 0 1 317.379 4.125 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000756628498 1046112055 /nfs/dbraw/zinc/11/20/55/1046112055.db2.gz MRVJCHLUDVKMDY-IFXJQAMLSA-N 0 1 313.441 4.401 20 10 DICDMN Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756635030 1046114193 /nfs/dbraw/zinc/11/41/93/1046114193.db2.gz DFMBPPDIDCEPPF-QRWLVFNGSA-N 0 1 321.420 4.238 20 10 DICDMN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000756639034 1046114287 /nfs/dbraw/zinc/11/42/87/1046114287.db2.gz VQJRQYMZGRTSCN-DCPHZVHLSA-N 0 1 313.441 4.137 20 10 DICDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccncc1 ZINC000756637020 1046114833 /nfs/dbraw/zinc/11/48/33/1046114833.db2.gz YVQVACSLPUSPOB-GJZGRUSLSA-N 0 1 306.409 4.395 20 10 DICDMN C[C@@]1(F)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215884 1046120568 /nfs/dbraw/zinc/12/05/68/1046120568.db2.gz ZWVXAQGNTLPLBQ-LJQANCHMSA-N 0 1 304.453 4.391 20 10 DICDMN CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1 ZINC001138219498 1046120720 /nfs/dbraw/zinc/12/07/20/1046120720.db2.gz DLHPKBZOTFPJKS-UHFFFAOYSA-N 0 1 309.457 4.094 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756706105 1046121943 /nfs/dbraw/zinc/12/19/43/1046121943.db2.gz GWOBWLRESDWVNI-KZULUSFZSA-N 0 1 317.816 4.010 20 10 DICDMN COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756706907 1046122714 /nfs/dbraw/zinc/12/27/14/1046122714.db2.gz ITUWPQGAMXZFLY-OLZOCXBDSA-N 0 1 319.832 4.336 20 10 DICDMN C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc2ccccc2c1[O-] ZINC000756731146 1046123962 /nfs/dbraw/zinc/12/39/62/1046123962.db2.gz YBIINPOLIKEWIB-HNNXBMFYSA-N 0 1 320.436 4.462 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc2ccccc2c1[O-] ZINC000756759533 1046127811 /nfs/dbraw/zinc/12/78/11/1046127811.db2.gz MFVNBPSQNNEGMX-CQSZACIVSA-N 0 1 319.404 4.426 20 10 DICDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c(F)c1 ZINC000756759706 1046128637 /nfs/dbraw/zinc/12/86/37/1046128637.db2.gz XMJKIISWNYBTQV-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC(C)OC1CCC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756770347 1046130530 /nfs/dbraw/zinc/13/05/30/1046130530.db2.gz TZIGKPNUJSMOCR-WOICTCIZSA-N 0 1 321.436 4.405 20 10 DICDMN CC(C)OC1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756770345 1046130738 /nfs/dbraw/zinc/13/07/38/1046130738.db2.gz TZIGKPNUJSMOCR-UWLZSVRSSA-N 0 1 321.436 4.405 20 10 DICDMN Cc1c(CN(C)Cc2ccc(Cl)nc2)c2ccccc2n1C ZINC001138258089 1046131350 /nfs/dbraw/zinc/13/13/50/1046131350.db2.gz LGBVSOPEQXPWCP-UHFFFAOYSA-N 0 1 313.832 4.167 20 10 DICDMN Cc1c(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c2ccccc2n1C ZINC001138260181 1046132127 /nfs/dbraw/zinc/13/21/27/1046132127.db2.gz YCCFLPALQMWBER-OAHLLOKOSA-N 0 1 324.468 4.210 20 10 DICDMN COc1ccc(C2([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000756821079 1046140777 /nfs/dbraw/zinc/14/07/77/1046140777.db2.gz LHRDHNRUBHBQOS-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1cc(F)cc(F)c1O ZINC000757613675 1046193916 /nfs/dbraw/zinc/19/39/16/1046193916.db2.gz NMUKVEOJFDEEJK-SNVBAGLBSA-N 0 1 324.346 4.044 20 10 DICDMN COCC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccco1 ZINC000757640272 1046196305 /nfs/dbraw/zinc/19/63/05/1046196305.db2.gz XEOSNPDDMKSZOM-BXUZGUMPSA-N 0 1 309.793 4.067 20 10 DICDMN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000757654320 1046198125 /nfs/dbraw/zinc/19/81/25/1046198125.db2.gz ABUAPYAXUNAFNP-PMPSAXMXSA-N 0 1 313.441 4.401 20 10 DICDMN CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cc(Cl)ccc1[O-] ZINC000903283636 1046222474 /nfs/dbraw/zinc/22/24/74/1046222474.db2.gz RZTOSNRYBZKWOA-UKBVEQLASA-N 0 1 309.837 4.044 20 10 DICDMN C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903427839 1046276859 /nfs/dbraw/zinc/27/68/59/1046276859.db2.gz AAZAKQQPDVKYEV-PIGZYNQJSA-N 0 1 302.805 4.243 20 10 DICDMN CCCOc1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001138998194 1046351549 /nfs/dbraw/zinc/35/15/49/1046351549.db2.gz HMAWRBZRSILUIV-UHFFFAOYSA-N 0 1 312.457 4.173 20 10 DICDMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000780793432 1046406873 /nfs/dbraw/zinc/40/68/73/1046406873.db2.gz NPFKZNQKRRQSDD-AAEUAGOBSA-N 0 1 318.358 4.055 20 10 DICDMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000780793581 1046407309 /nfs/dbraw/zinc/40/73/09/1046407309.db2.gz RTGOCNUFFWUVEP-MWLCHTKSSA-N 0 1 307.743 4.208 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](C(C)C)C2CCC2)c1 ZINC000781906968 1046485817 /nfs/dbraw/zinc/48/58/17/1046485817.db2.gz ATMQFQMBJXEPAB-UHFFFAOYSA-N 0 1 312.251 4.226 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001139685237 1046499373 /nfs/dbraw/zinc/49/93/73/1046499373.db2.gz BTWOPZQPBYWNPH-OAHLLOKOSA-N 0 1 317.379 4.440 20 10 DICDMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139681412 1046499875 /nfs/dbraw/zinc/49/98/75/1046499875.db2.gz QHUSKRDWKVLPOP-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN CCOc1ccc(O)c(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c1 ZINC000092484129 1046520753 /nfs/dbraw/zinc/52/07/53/1046520753.db2.gz BOCPFKHCDSHEAN-ZDUSSCGKSA-N 0 1 301.386 4.110 20 10 DICDMN Cc1ccccc1CN(C)Cc1c(O)cccc1Br ZINC001140101152 1046588275 /nfs/dbraw/zinc/58/82/75/1046588275.db2.gz LBOGRIRURFNRKV-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN Cc1ccc(CN(C)Cc2c(O)cccc2Br)cc1 ZINC001140101356 1046588925 /nfs/dbraw/zinc/58/89/25/1046588925.db2.gz PPCUCMAHHSCRJV-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746277 1046605944 /nfs/dbraw/zinc/60/59/44/1046605944.db2.gz XGSLAZAWRNFVLX-GFCCVEGCSA-N 0 1 320.820 4.079 20 10 DICDMN Cc1ccc(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)cn1 ZINC000783603294 1046613104 /nfs/dbraw/zinc/61/31/04/1046613104.db2.gz PROABVVAPCYYEU-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000093453361 1046629635 /nfs/dbraw/zinc/62/96/35/1046629635.db2.gz ODTXTDCXIINXPP-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])n1 ZINC000093453361 1046629638 /nfs/dbraw/zinc/62/96/38/1046629638.db2.gz ODTXTDCXIINXPP-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1cc(O)c(CN2CCCC[C@H]2c2cc[nH]n2)cc1C(C)C ZINC000795671479 1046631507 /nfs/dbraw/zinc/63/15/07/1046631507.db2.gz VSINBSDNWRVXOE-SFHVURJKSA-N 0 1 313.445 4.274 20 10 DICDMN CCC(CC)c1cc(CN[C@H]2CCc3cccc(O)c32)on1 ZINC000834602099 1046635652 /nfs/dbraw/zinc/63/56/52/1046635652.db2.gz JIJDBYJRURVCFA-HNNXBMFYSA-N 0 1 300.402 4.061 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001140341247 1046665708 /nfs/dbraw/zinc/66/57/08/1046665708.db2.gz GJFHOQPKCVQYQK-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001140341247 1046665718 /nfs/dbraw/zinc/66/57/18/1046665718.db2.gz GJFHOQPKCVQYQK-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140344217 1046667842 /nfs/dbraw/zinc/66/78/42/1046667842.db2.gz GGJROULGFGMKCQ-OAHLLOKOSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001140344217 1046667846 /nfs/dbraw/zinc/66/78/46/1046667846.db2.gz GGJROULGFGMKCQ-OAHLLOKOSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001140344454 1046667884 /nfs/dbraw/zinc/66/78/84/1046667884.db2.gz KHCWYHHOALPUEL-INIZCTEOSA-N 0 1 302.805 4.168 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001140344454 1046667888 /nfs/dbraw/zinc/66/78/88/1046667888.db2.gz KHCWYHHOALPUEL-INIZCTEOSA-N 0 1 302.805 4.168 20 10 DICDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2c([O-])cccc2Cl)cc1 ZINC001140344739 1046668177 /nfs/dbraw/zinc/66/81/77/1046668177.db2.gz LIRCHCFXRJASQI-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2c([O-])cccc2Cl)cc1 ZINC001140344739 1046668183 /nfs/dbraw/zinc/66/81/83/1046668183.db2.gz LIRCHCFXRJASQI-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN C[N@H+](Cc1c([O-])cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001140345315 1046668809 /nfs/dbraw/zinc/66/88/09/1046668809.db2.gz RPJIOXSKMCWMON-UHFFFAOYSA-N 0 1 305.849 4.446 20 10 DICDMN C[N@@H+](Cc1c([O-])cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001140345315 1046668813 /nfs/dbraw/zinc/66/88/13/1046668813.db2.gz RPJIOXSKMCWMON-UHFFFAOYSA-N 0 1 305.849 4.446 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000834815303 1046673887 /nfs/dbraw/zinc/67/38/87/1046673887.db2.gz UOGZCACXKDEXDQ-WDEREUQCSA-N 0 1 320.776 4.366 20 10 DICDMN CC[C@H]([NH2+]Cc1cnc(C)cc1C)c1cc(Cl)ccc1[O-] ZINC000834904453 1046714783 /nfs/dbraw/zinc/71/47/83/1046714783.db2.gz YJZDPHQEOIQPTK-INIZCTEOSA-N 0 1 304.821 4.298 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(c2cccs2)CC1 ZINC001140466431 1046737753 /nfs/dbraw/zinc/73/77/53/1046737753.db2.gz FNAAKNXURZEMPT-UHFFFAOYSA-N 0 1 307.846 4.487 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466453 1046738777 /nfs/dbraw/zinc/73/87/77/1046738777.db2.gz GDRPVYLFESUPIH-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466453 1046738788 /nfs/dbraw/zinc/73/87/88/1046738788.db2.gz GDRPVYLFESUPIH-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN CC[C@@H]([NH2+]CCCc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000797017024 1046772153 /nfs/dbraw/zinc/77/21/53/1046772153.db2.gz NDYOJYYRIOIDPV-QGZVFWFLSA-N 0 1 318.848 4.423 20 10 DICDMN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000797058474 1046781405 /nfs/dbraw/zinc/78/14/05/1046781405.db2.gz FMEPOAPFWDXSLS-VEVIJQCQSA-N 0 1 319.832 4.127 20 10 DICDMN C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(Cl)ccc1[O-] ZINC000797100241 1046790200 /nfs/dbraw/zinc/79/02/00/1046790200.db2.gz OVFUGGKLDGWETB-ZDUSSCGKSA-N 0 1 316.832 4.213 20 10 DICDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001140584939 1046796479 /nfs/dbraw/zinc/79/64/79/1046796479.db2.gz KYJWEYNIVDYYKF-HNNXBMFYSA-N 0 1 321.342 4.017 20 10 DICDMN Cc1ccc(Br)c(CN(C)Cc2ccccc2O)c1 ZINC001137386136 1046896169 /nfs/dbraw/zinc/89/61/69/1046896169.db2.gz QWSSRGWMCUIJFG-UHFFFAOYSA-N 0 1 320.230 4.095 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000797877034 1046899418 /nfs/dbraw/zinc/89/94/18/1046899418.db2.gz TXDJNAXYHBIRME-HAQNSBGRSA-N 0 1 305.780 4.221 20 10 DICDMN CN(C)c1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c(Cl)c1 ZINC001140922590 1046950144 /nfs/dbraw/zinc/95/01/44/1046950144.db2.gz VOYDOJYIMKWPTB-UHFFFAOYSA-N 0 1 316.823 4.273 20 10 DICDMN CN(C)c1ccc(CN2CCC(F)(F)C(C)(C)C2)c(Cl)c1 ZINC001140922590 1046950152 /nfs/dbraw/zinc/95/01/52/1046950152.db2.gz VOYDOJYIMKWPTB-UHFFFAOYSA-N 0 1 316.823 4.273 20 10 DICDMN COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(C)cc2O)c1 ZINC001140950167 1046958675 /nfs/dbraw/zinc/95/86/75/1046958675.db2.gz SXHIRBBRWVTOTE-LJQANCHMSA-N 0 1 311.425 4.436 20 10 DICDMN Cc1ccc(CN2CCSC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001140950955 1046961166 /nfs/dbraw/zinc/96/11/66/1046961166.db2.gz QMNRBZOWKQQDDO-KRWDZBQOSA-N 0 1 317.429 4.130 20 10 DICDMN Cc1ccc(CN2CCC[C@H]2c2c(F)cccc2F)c(O)c1 ZINC001140958207 1046961776 /nfs/dbraw/zinc/96/17/76/1046961776.db2.gz TYUYUKZDQRSYBV-INIZCTEOSA-N 0 1 303.352 4.316 20 10 DICDMN C[N@@H+](Cc1c(F)ccc(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001139683027 1047072738 /nfs/dbraw/zinc/07/27/38/1047072738.db2.gz GYQJYZPQRDOJLR-UHFFFAOYSA-N 0 1 307.384 4.071 20 10 DICDMN Cc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1C[NH+](C)C ZINC000839188367 1047203304 /nfs/dbraw/zinc/20/33/04/1047203304.db2.gz FRUICXISLAPUSK-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN CC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC001117795103 1047246669 /nfs/dbraw/zinc/24/66/69/1047246669.db2.gz PQOPUNMYEFQTNE-UHFFFAOYSA-N 0 1 322.452 4.120 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[O-] ZINC001118489836 1047300787 /nfs/dbraw/zinc/30/07/87/1047300787.db2.gz WHGQWCVQLTZEID-FRJFDASCSA-N 0 1 315.791 4.438 20 10 DICDMN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527463 1047310325 /nfs/dbraw/zinc/31/03/25/1047310325.db2.gz VRCCCDUFZSZIDN-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000725848995 1047320915 /nfs/dbraw/zinc/32/09/15/1047320915.db2.gz OZWRKIIMAKUIJK-HNNXBMFYSA-N 0 1 321.779 4.188 20 10 DICDMN Cc1ccc(-c2ccc(CNCc3ccc4c(c3)CCO4)o2)cc1 ZINC000725852480 1047321962 /nfs/dbraw/zinc/32/19/62/1047321962.db2.gz AHUOHHICABNFCT-UHFFFAOYSA-N 0 1 319.404 4.480 20 10 DICDMN Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000397104083 1047325508 /nfs/dbraw/zinc/32/55/08/1047325508.db2.gz QOMBLBLYZQSVSP-HNNXBMFYSA-N 0 1 306.409 4.408 20 10 DICDMN CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000840858844 1047348288 /nfs/dbraw/zinc/34/82/88/1047348288.db2.gz HBQXUMSLFJBKMJ-CKNLXJGOSA-N 0 1 313.441 4.400 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccnc2)c2c1c(F)ccc2[O-] ZINC000840890567 1047355143 /nfs/dbraw/zinc/35/51/43/1047355143.db2.gz ATPJWKYBAVPPJQ-IUODEOHRSA-N 0 1 314.404 4.042 20 10 DICDMN Cc1csc([C@@H](NCc2ccc(N(C)C)cc2C)C2CC2)n1 ZINC000840935078 1047360319 /nfs/dbraw/zinc/36/03/19/1047360319.db2.gz DPJGTVRWYAIXKG-KRWDZBQOSA-N 0 1 315.486 4.067 20 10 DICDMN Cc1cc2cc(C[NH2+]Cc3c([O-])cccc3Cl)ccc2[nH]1 ZINC000796527774 1047378156 /nfs/dbraw/zinc/37/81/56/1047378156.db2.gz LJLIEVFUPSMIEG-UHFFFAOYSA-N 0 1 300.789 4.125 20 10 DICDMN [O-]c1cc2c(cc1C[N@@H+]1CCCSCC1)oc1ccccc12 ZINC000726962394 1047394459 /nfs/dbraw/zinc/39/44/59/1047394459.db2.gz WRCOKZLGKUVYBK-UHFFFAOYSA-N 0 1 313.422 4.231 20 10 DICDMN [O-]c1cc2c(cc1C[N@H+]1CCCSCC1)oc1ccccc12 ZINC000726962394 1047394469 /nfs/dbraw/zinc/39/44/69/1047394469.db2.gz WRCOKZLGKUVYBK-UHFFFAOYSA-N 0 1 313.422 4.231 20 10 DICDMN C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841743644 1047447112 /nfs/dbraw/zinc/44/71/12/1047447112.db2.gz JDSQLVUAKXYRLX-FZMZJTMJSA-N 0 1 324.877 4.061 20 10 DICDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000841746469 1047448271 /nfs/dbraw/zinc/44/82/71/1047448271.db2.gz ZMOSZKJULHOLQW-QWRGUYRKSA-N 0 1 320.776 4.366 20 10 DICDMN COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841744254 1047448354 /nfs/dbraw/zinc/44/83/54/1047448354.db2.gz GNDLQHCFWOBNGZ-NWDGAFQWSA-N 0 1 305.805 4.466 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc2c(c1)OCO2 ZINC000841745489 1047448880 /nfs/dbraw/zinc/44/88/80/1047448880.db2.gz YYPKYHQUYSYTJI-MNOVXSKESA-N 0 1 319.788 4.186 20 10 DICDMN CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743795 1047448972 /nfs/dbraw/zinc/44/89/72/1047448972.db2.gz CEKFQKFZKRNDGJ-GFCCVEGCSA-N 0 1 320.820 4.080 20 10 DICDMN C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(Cl)cc1[O-] ZINC000841747563 1047449117 /nfs/dbraw/zinc/44/91/17/1047449117.db2.gz CMKNYVRJSGFXNQ-SECBINFHSA-N 0 1 308.834 4.230 20 10 DICDMN C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1[O-] ZINC000841751135 1047450817 /nfs/dbraw/zinc/45/08/17/1047450817.db2.gz LFMDUKHPVFNFBK-LBPRGKRZSA-N 0 1 319.836 4.208 20 10 DICDMN C[C@H](NCc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1O ZINC000841751135 1047450821 /nfs/dbraw/zinc/45/08/21/1047450821.db2.gz LFMDUKHPVFNFBK-LBPRGKRZSA-N 0 1 319.836 4.208 20 10 DICDMN COCC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000841753150 1047452593 /nfs/dbraw/zinc/45/25/93/1047452593.db2.gz JTCRCCMVRRFZBN-SMDDNHRTSA-N 0 1 309.793 4.067 20 10 DICDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000841758002 1047453263 /nfs/dbraw/zinc/45/32/63/1047453263.db2.gz QXHOGJHTYPQFHN-QWRGUYRKSA-N 0 1 320.776 4.366 20 10 DICDMN C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000841758027 1047453416 /nfs/dbraw/zinc/45/34/16/1047453416.db2.gz RDMXPUHQTOQBHV-QPUJVOFHSA-N 0 1 308.636 4.280 20 10 DICDMN COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841761259 1047455563 /nfs/dbraw/zinc/45/55/63/1047455563.db2.gz XSVANTXREVREIM-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3ccccc3)CC2)c1[O-] ZINC000750043925 1047455720 /nfs/dbraw/zinc/45/57/20/1047455720.db2.gz OOINTVSJBDWLMD-UHFFFAOYSA-N 0 1 315.800 4.027 20 10 DICDMN c1ccc2c(c1)COC[C@H]2NCc1ccc(N2CCCCC2)cc1 ZINC000841889995 1047462126 /nfs/dbraw/zinc/46/21/26/1047462126.db2.gz FLGDTVGFZPOVQY-OAQYLSRUSA-N 0 1 322.452 4.038 20 10 DICDMN [O-]c1c(C[NH+]2CCC(OC3CCC3)CC2)ccc2ccccc21 ZINC000841888545 1047462321 /nfs/dbraw/zinc/46/23/21/1047462321.db2.gz LGNZWFDJYLIJTC-UHFFFAOYSA-N 0 1 311.425 4.079 20 10 DICDMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142502237 1047463720 /nfs/dbraw/zinc/46/37/20/1047463720.db2.gz KOSLOAXFXBRHBJ-UHFFFAOYSA-N 0 1 305.368 4.471 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001142524549 1047465625 /nfs/dbraw/zinc/46/56/25/1047465625.db2.gz AXEFMNOPCLQGSQ-MRXNPFEDSA-N 0 1 307.315 4.147 20 10 DICDMN CC(C)(C)c1cccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001143104567 1047531886 /nfs/dbraw/zinc/53/18/86/1047531886.db2.gz VITIUMWNHVSIGI-NVXWUHKLSA-N 0 1 315.457 4.023 20 10 DICDMN Cc1cc([C@H]2CCCN2Cc2cccc(C(C)(C)C)c2O)no1 ZINC001143104645 1047532815 /nfs/dbraw/zinc/53/28/15/1047532815.db2.gz WTCKXULNLBWZDP-QGZVFWFLSA-N 0 1 314.429 4.323 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc2c1OCC2 ZINC001203135875 1047546340 /nfs/dbraw/zinc/54/63/40/1047546340.db2.gz GGAHBOQXRKFCFQ-UHFFFAOYSA-N 0 1 310.180 4.246 20 10 DICDMN Cc1ccc(C[N@H+](Cc2cccc(Cl)c2[O-])CC2CC2)cn1 ZINC000843424323 1047550019 /nfs/dbraw/zinc/55/00/19/1047550019.db2.gz YOMQPFBZUSJDAY-UHFFFAOYSA-N 0 1 316.832 4.161 20 10 DICDMN Cc1ccc(NCc2cc(Cl)c3cccnc3c2O)nc1C ZINC001157723748 1047751024 /nfs/dbraw/zinc/75/10/24/1047751024.db2.gz BNTHGDPSHSYPFH-UHFFFAOYSA-N 0 1 313.788 4.218 20 10 DICDMN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001183324165 1047919224 /nfs/dbraw/zinc/91/92/24/1047919224.db2.gz LPICJXSUNPPUNW-UHFFFAOYSA-N 0 1 321.367 4.091 20 10 DICDMN CC(C)Nc1ccc(Nc2ccccc2N2CCN(C)CC2)cc1 ZINC001201497018 1048284366 /nfs/dbraw/zinc/28/43/66/1048284366.db2.gz BQJXZLKPESRMJU-UHFFFAOYSA-N 0 1 324.472 4.002 20 10 DICDMN CCC(CC)[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001203645375 1048343644 /nfs/dbraw/zinc/34/36/44/1048343644.db2.gz FMUXHNNZMMTMNT-UHFFFAOYSA-N 0 1 300.240 4.165 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)c1[O-] ZINC001175610140 1048394113 /nfs/dbraw/zinc/39/41/13/1048394113.db2.gz FSAQOJCBIPGRPM-HNNXBMFYSA-N 0 1 319.420 4.136 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c1[O-] ZINC001175610140 1048394124 /nfs/dbraw/zinc/39/41/24/1048394124.db2.gz FSAQOJCBIPGRPM-HNNXBMFYSA-N 0 1 319.420 4.136 20 10 DICDMN Cc1cc(Cl)cc(CN[C@@H]2COc3c2cccc3Cl)c1O ZINC000776251069 1048465451 /nfs/dbraw/zinc/46/54/51/1048465451.db2.gz PHHYEOPYSLLWPA-CQSZACIVSA-N 0 1 324.207 4.231 20 10 DICDMN C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000850526627 1048680585 /nfs/dbraw/zinc/68/05/85/1048680585.db2.gz RFLCHJGHMLSOBD-CQSZACIVSA-N 0 1 301.430 4.401 20 10 DICDMN C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc2ccccc2c1[O-] ZINC000850535294 1048684194 /nfs/dbraw/zinc/68/41/94/1048684194.db2.gz ULPRHACUNMJUSQ-ZDUSSCGKSA-N 0 1 321.424 4.007 20 10 DICDMN CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000850585525 1048701581 /nfs/dbraw/zinc/70/15/81/1048701581.db2.gz YXQMBXPQORTMNW-ULFGMLNVSA-N 0 1 319.832 4.208 20 10 DICDMN COc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1C ZINC000850579761 1048701637 /nfs/dbraw/zinc/70/16/37/1048701637.db2.gz ZWENSTQQACTYLW-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN C[N@@H+](Cc1ccccc1O)Cc1ccccc1Oc1cccnc1 ZINC000109769810 1048742425 /nfs/dbraw/zinc/74/24/25/1048742425.db2.gz RDINLFKGMMKDGA-UHFFFAOYSA-N 0 1 320.392 4.212 20 10 DICDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001190913441 1048803710 /nfs/dbraw/zinc/80/37/10/1048803710.db2.gz KZTKIFXXRJXKFK-VXGBXAGGSA-N 0 1 307.409 4.133 20 10 DICDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001190913438 1048806629 /nfs/dbraw/zinc/80/66/29/1048806629.db2.gz KZTKIFXXRJXKFK-NEPJUHHUSA-N 0 1 307.409 4.133 20 10 DICDMN C[C@@H](NCc1nsc2ccccc12)c1ccc(N(C)C)cc1 ZINC000851951161 1048817186 /nfs/dbraw/zinc/81/71/86/1048817186.db2.gz VKPQPONJJSZRAJ-CYBMUJFWSA-N 0 1 311.454 4.213 20 10 DICDMN C[C@@H](NCc1csc(-c2ccsc2)n1)c1ccccc1O ZINC001203536495 1048924209 /nfs/dbraw/zinc/92/42/09/1048924209.db2.gz WBNYVCSZVNABNE-LLVKDONJSA-N 0 1 316.451 4.428 20 10 DICDMN Oc1ccccc1CN1CCSC[C@H]1c1cccc(Cl)c1 ZINC001203556204 1048926584 /nfs/dbraw/zinc/92/65/84/1048926584.db2.gz OCICEYGHHMRFIM-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001203573578 1048933385 /nfs/dbraw/zinc/93/33/85/1048933385.db2.gz FAPUETZBVOXORY-AOOOYVTPSA-N 0 1 322.182 4.176 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001203580888 1048935205 /nfs/dbraw/zinc/93/52/05/1048935205.db2.gz WKTPXPHMDSHXDK-MRVPVSSYSA-N 0 1 310.171 4.176 20 10 DICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC12CCCCC2 ZINC001203636100 1048944673 /nfs/dbraw/zinc/94/46/73/1048944673.db2.gz OJOIIWXOHFOFES-UHFFFAOYSA-N 0 1 310.235 4.063 20 10 DICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC12CCCCC2 ZINC001203636100 1048944682 /nfs/dbraw/zinc/94/46/82/1048944682.db2.gz OJOIIWXOHFOFES-UHFFFAOYSA-N 0 1 310.235 4.063 20 10 DICDMN CCC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CC ZINC001203635034 1048944778 /nfs/dbraw/zinc/94/47/78/1048944778.db2.gz GZNGPSYUJJHDAF-LLVKDONJSA-N 0 1 300.240 4.165 20 10 DICDMN Oc1ccc(Cl)cc1CN1CCSc2ccccc2C1 ZINC001203664539 1048952719 /nfs/dbraw/zinc/95/27/19/1048952719.db2.gz JNKVUMSGYXJEAG-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSc2ccccc2C1 ZINC001203664539 1048952732 /nfs/dbraw/zinc/95/27/32/1048952732.db2.gz JNKVUMSGYXJEAG-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSc2ccccc2C1 ZINC001203664539 1048952740 /nfs/dbraw/zinc/95/27/40/1048952740.db2.gz JNKVUMSGYXJEAG-UHFFFAOYSA-N 0 1 305.830 4.154 20 10 DICDMN CC[N@H+](CCc1ccc(OC)cc1)Cc1cc(Cl)ccc1[O-] ZINC001203664476 1048953070 /nfs/dbraw/zinc/95/30/70/1048953070.db2.gz GMJYLTLIWVSAGJ-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN CC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(Cl)ccc1[O-] ZINC001203664476 1048953086 /nfs/dbraw/zinc/95/30/86/1048953086.db2.gz GMJYLTLIWVSAGJ-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001203664219 1048954571 /nfs/dbraw/zinc/95/45/71/1048954571.db2.gz RFQGFAFUMNIISM-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001203664219 1048954585 /nfs/dbraw/zinc/95/45/85/1048954585.db2.gz RFQGFAFUMNIISM-ZDUSSCGKSA-N 0 1 305.780 4.174 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(Cl)ccc1[O-] ZINC000854227603 1048955482 /nfs/dbraw/zinc/95/54/82/1048955482.db2.gz WNVKORZBYCANPQ-SJORKVTESA-N 0 1 316.832 4.356 20 10 DICDMN CC[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CCO1 ZINC000780758445 1048991007 /nfs/dbraw/zinc/99/10/07/1048991007.db2.gz RVVVWIPNLPGNQJ-VQIMIIECSA-N 0 1 317.473 4.342 20 10 DICDMN CC[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000780758445 1048991021 /nfs/dbraw/zinc/99/10/21/1048991021.db2.gz RVVVWIPNLPGNQJ-VQIMIIECSA-N 0 1 317.473 4.342 20 10 DICDMN CC[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC000780758445 1048991034 /nfs/dbraw/zinc/99/10/34/1048991034.db2.gz RVVVWIPNLPGNQJ-VQIMIIECSA-N 0 1 317.473 4.342 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccccc1COC)c1cc(Cl)ccc1[O-] ZINC000775488452 1049004581 /nfs/dbraw/zinc/00/45/81/1049004581.db2.gz ULSNDYOQJWFYFF-QGZVFWFLSA-N 0 1 319.832 4.433 20 10 DICDMN Cc1cc(O)c(CN(C)Cc2cc(F)c(F)c(F)c2)cc1C ZINC000776775751 1049008837 /nfs/dbraw/zinc/00/88/37/1049008837.db2.gz KYTMAQWOLWVPDV-UHFFFAOYSA-N 0 1 309.331 4.058 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775493878 1049025737 /nfs/dbraw/zinc/02/57/37/1049025737.db2.gz VYLIAEZCUZAJLJ-FUHWJXTLSA-N 0 1 319.832 4.474 20 10 DICDMN CCN(CC)c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC001203939615 1049036035 /nfs/dbraw/zinc/03/60/35/1049036035.db2.gz RPMURBUKJOLJHB-NRFANRHFSA-N 0 1 324.468 4.106 20 10 DICDMN CCc1nc(CN[C@H](CC)c2cc(Cl)ccc2O)cs1 ZINC000775500913 1049040398 /nfs/dbraw/zinc/04/03/98/1049040398.db2.gz AVRUXXRFDYMKDD-CYBMUJFWSA-N 0 1 310.850 4.305 20 10 DICDMN CC[C@H]([NH2+]CCc1ccc(C)nc1)c1cc(Cl)ccc1[O-] ZINC000775503428 1049048365 /nfs/dbraw/zinc/04/83/65/1049048365.db2.gz IKBKAEBSQNTSBP-INIZCTEOSA-N 0 1 304.821 4.032 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(Cl)ccc1[O-] ZINC000775513536 1049050447 /nfs/dbraw/zinc/05/04/47/1049050447.db2.gz LACQCIHVUZCOFU-FAYQHZLMSA-N 0 1 309.837 4.044 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cc(Cl)ccc1[O-] ZINC000775509624 1049052633 /nfs/dbraw/zinc/05/26/33/1049052633.db2.gz SYCVNZQQPURUOT-GUDXXQAFSA-N 0 1 323.864 4.290 20 10 DICDMN CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775514376 1049062758 /nfs/dbraw/zinc/06/27/58/1049062758.db2.gz ZRUVZPQYNSBTQO-HOTGVXAUSA-N 0 1 311.853 4.292 20 10 DICDMN CC[C@H]([NH2+]Cc1ccnc(SC)c1)c1cc(Cl)ccc1[O-] ZINC000775520135 1049076676 /nfs/dbraw/zinc/07/66/76/1049076676.db2.gz QALLXEXFQGEQRC-AWEZNQCLSA-N 0 1 322.861 4.403 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521806 1049077833 /nfs/dbraw/zinc/07/78/33/1049077833.db2.gz BCGNBGSHQCYHNW-ZFWWWQNUSA-N 0 1 309.837 4.188 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cc(Cl)ccc1[O-] ZINC000775522648 1049081414 /nfs/dbraw/zinc/08/14/14/1049081414.db2.gz WMAOZRGUEIFRTO-QGZVFWFLSA-N 0 1 317.816 4.317 20 10 DICDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1F ZINC001204213560 1049112243 /nfs/dbraw/zinc/11/22/43/1049112243.db2.gz QRTVXAXGXGFXRN-UHFFFAOYSA-N 0 1 304.384 4.053 20 10 DICDMN CN(C)c1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)c2ccccc21 ZINC001204233154 1049115981 /nfs/dbraw/zinc/11/59/81/1049115981.db2.gz OLGVYMBEBPWBLG-RTBURBONSA-N 0 1 318.411 4.178 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC001178998381 1049120791 /nfs/dbraw/zinc/12/07/91/1049120791.db2.gz LPXCBEJDFKLPJR-VQTJNVASSA-N 0 1 308.400 4.214 20 10 DICDMN C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cc(Cl)ccc1[O-] ZINC000857082562 1049127158 /nfs/dbraw/zinc/12/71/58/1049127158.db2.gz OMRWDRQHJIVUST-IUCAKERBSA-N 0 1 308.636 4.280 20 10 DICDMN CN(Cc1ccc(O)cc1O)Cc1ccc(Cl)cc1Cl ZINC001204272278 1049125614 /nfs/dbraw/zinc/12/56/14/1049125614.db2.gz LUYJNQXAYKNXLC-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN CN(Cc1ccc(O)cc1O)Cc1cccc(Cl)c1Cl ZINC001204278675 1049126231 /nfs/dbraw/zinc/12/62/31/1049126231.db2.gz HVEVATZLKUDLJS-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)Cc2ccccc21 ZINC001204348043 1049147371 /nfs/dbraw/zinc/14/73/71/1049147371.db2.gz NTQQBFWYMMTEOQ-UHFFFAOYSA-N 0 1 319.807 4.478 20 10 DICDMN CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000775553397 1049149251 /nfs/dbraw/zinc/14/92/51/1049149251.db2.gz BKILLFFXJOXXIF-SZMVWBNQSA-N 0 1 323.864 4.292 20 10 DICDMN Cc1c2ccccc2n(C)c1CNc1nc2cc(C)ccc2[nH]1 ZINC001179442549 1049164566 /nfs/dbraw/zinc/16/45/66/1049164566.db2.gz DXBDFDBKMOTEMC-UHFFFAOYSA-N 0 1 304.397 4.284 20 10 DICDMN CCN(C)c1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000773813843 1049170661 /nfs/dbraw/zinc/17/06/61/1049170661.db2.gz WLDOCHRQGKBVLD-CYBMUJFWSA-N 0 1 304.384 4.272 20 10 DICDMN COc1ccc2cc(C[N@H+]3CCc4cccc(O)c4C3)ccc2c1 ZINC001204517557 1049180903 /nfs/dbraw/zinc/18/09/03/1049180903.db2.gz OVSKBVQHQTYMES-UHFFFAOYSA-N 0 1 319.404 4.112 20 10 DICDMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542906 1049187899 /nfs/dbraw/zinc/18/78/99/1049187899.db2.gz JLJBZWFYJNJVCR-XJKSGUPXSA-N 0 1 301.817 4.424 20 10 DICDMN CN(C)c1ccc(CNCc2csc(C(F)(F)F)c2)cc1 ZINC000858088474 1049216456 /nfs/dbraw/zinc/21/64/56/1049216456.db2.gz GGZCYUGXHBBCFE-UHFFFAOYSA-N 0 1 314.376 4.123 20 10 DICDMN C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001179855620 1049218860 /nfs/dbraw/zinc/21/88/60/1049218860.db2.gz XQOYUIRMKGPTOK-NSHDSACASA-N 0 1 305.780 4.304 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1c1ccccc1 ZINC001204679875 1049222407 /nfs/dbraw/zinc/22/24/07/1049222407.db2.gz BHTBGBMMVCIWHH-DIFFPNOSSA-N 0 1 305.780 4.378 20 10 DICDMN O=C(Nc1cc2ccccc2s1)c1cc(O)c(O)c(Cl)c1 ZINC001193589721 1049226830 /nfs/dbraw/zinc/22/68/30/1049226830.db2.gz OULHRYZJFJFVMD-UHFFFAOYSA-N 0 1 319.769 4.218 20 10 DICDMN Cc1cc(CNCc2ccns2)c(C)n1-c1cccc(C)c1 ZINC000858212846 1049228272 /nfs/dbraw/zinc/22/82/72/1049228272.db2.gz WHBMCBHXFIMBPR-UHFFFAOYSA-N 0 1 311.454 4.149 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC001204750280 1049252625 /nfs/dbraw/zinc/25/26/25/1049252625.db2.gz ZAKPDVFKWRPZHK-KRWDZBQOSA-N 0 1 317.379 4.268 20 10 DICDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC001180043756 1049263973 /nfs/dbraw/zinc/26/39/73/1049263973.db2.gz XVQWLXIIJIPQCF-NSHDSACASA-N 0 1 309.331 4.393 20 10 DICDMN Cc1cc(CN[C@H](C)c2ccc(F)cn2)c(C)n1-c1ccccc1 ZINC000858544007 1049272206 /nfs/dbraw/zinc/27/22/06/1049272206.db2.gz XSFWWDXPIOMCEQ-OAHLLOKOSA-N 0 1 323.415 4.479 20 10 DICDMN C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001180133538 1049278823 /nfs/dbraw/zinc/27/88/23/1049278823.db2.gz XUGGZRLISZTQTJ-IBGZPJMESA-N 0 1 317.379 4.224 20 10 DICDMN Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204917242 1049311147 /nfs/dbraw/zinc/31/11/47/1049311147.db2.gz YGQXBAQUIOWFIW-CQSZACIVSA-N 0 1 301.817 4.344 20 10 DICDMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204917242 1049311156 /nfs/dbraw/zinc/31/11/56/1049311156.db2.gz YGQXBAQUIOWFIW-CQSZACIVSA-N 0 1 301.817 4.344 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CCC(C(F)(F)F)CC2)cc1 ZINC001180249391 1049320900 /nfs/dbraw/zinc/32/09/00/1049320900.db2.gz KTRPZROPCTZMQQ-ONEGZZNKSA-N 0 1 312.379 4.040 20 10 DICDMN [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC001180557304 1049380744 /nfs/dbraw/zinc/38/07/44/1049380744.db2.gz BGNAQDHGQGZLKQ-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1Cl ZINC001205292025 1049428382 /nfs/dbraw/zinc/42/83/82/1049428382.db2.gz VKZCSZAZYUCAGU-YVEFUNNKSA-N 0 1 316.832 4.332 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1Cl ZINC001205292025 1049428389 /nfs/dbraw/zinc/42/83/89/1049428389.db2.gz VKZCSZAZYUCAGU-YVEFUNNKSA-N 0 1 316.832 4.332 20 10 DICDMN CCN(Cc1sccc1Cl)Cc1ccc(N(C)C)cc1 ZINC001205354292 1049447386 /nfs/dbraw/zinc/44/73/86/1049447386.db2.gz YAAVTTZLVRCTCO-UHFFFAOYSA-N 0 1 308.878 4.490 20 10 DICDMN Cc1cccc(C2=CC[N@@H+](Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001205360103 1049450698 /nfs/dbraw/zinc/45/06/98/1049450698.db2.gz MPUQEYVKNHMDIY-UHFFFAOYSA-N 0 1 315.363 4.268 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc(Cl)c1[O-] ZINC001205408788 1049461733 /nfs/dbraw/zinc/46/17/33/1049461733.db2.gz CPPIQCGZJAGCQI-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001205403086 1049462299 /nfs/dbraw/zinc/46/22/99/1049462299.db2.gz QQSHRHLNUAUTLD-JYRVWZFOSA-N 0 1 303.352 4.206 20 10 DICDMN CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cc(F)c(F)cc1[O-] ZINC001205423580 1049467839 /nfs/dbraw/zinc/46/78/39/1049467839.db2.gz UCCLYWNMYVKRAT-UHFFFAOYSA-N 0 1 316.351 4.174 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000775634752 1049472672 /nfs/dbraw/zinc/47/26/72/1049472672.db2.gz WAHZFCJHFRQGCL-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN CC(C)N(Cc1cnc(C2CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000862222305 1049479125 /nfs/dbraw/zinc/47/91/25/1049479125.db2.gz UREVBMFTNUURBW-UHFFFAOYSA-N 0 1 313.445 4.029 20 10 DICDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001205535095 1049494347 /nfs/dbraw/zinc/49/43/47/1049494347.db2.gz DDQZBCLWZKLXAP-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN CCc1cccc(CNc2ccc(CN(C)C)c(Cl)c2)c1O ZINC001205595706 1049507298 /nfs/dbraw/zinc/50/72/98/1049507298.db2.gz NBKSTYYIFCEDTF-UHFFFAOYSA-N 0 1 318.848 4.282 20 10 DICDMN Cc1cccc(CN2CCn3cccc3[C@H]2c2ccccc2)c1O ZINC000775648614 1049511379 /nfs/dbraw/zinc/51/13/79/1049511379.db2.gz DWXKLAWBHJKDQH-HXUWFJFHSA-N 0 1 318.420 4.107 20 10 DICDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccccc1 ZINC000775656998 1049532008 /nfs/dbraw/zinc/53/20/08/1049532008.db2.gz SJQZCWOJTNIIES-AWEZNQCLSA-N 0 1 319.832 4.255 20 10 DICDMN CCc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)cc1 ZINC001182072511 1049570517 /nfs/dbraw/zinc/57/05/17/1049570517.db2.gz PTCWDVVHWDTTID-OAHLLOKOSA-N 0 1 317.379 4.222 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001205952401 1049609109 /nfs/dbraw/zinc/60/91/09/1049609109.db2.gz QFVSDHDTHIIOMI-NSHDSACASA-N 0 1 323.770 4.313 20 10 DICDMN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000775692676 1049628330 /nfs/dbraw/zinc/62/83/30/1049628330.db2.gz NBNOZODMHMPAMP-CYBMUJFWSA-N 0 1 319.832 4.123 20 10 DICDMN CSCCc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864043365 1049635850 /nfs/dbraw/zinc/63/58/50/1049635850.db2.gz MOMATDOYRCZGJK-UHFFFAOYSA-N 0 1 309.381 4.188 20 10 DICDMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001182435849 1049650383 /nfs/dbraw/zinc/65/03/83/1049650383.db2.gz XDNATHNOMPCQJY-HNNXBMFYSA-N 0 1 317.379 4.439 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc2ccccc2c1[O-] ZINC000774380801 1049653734 /nfs/dbraw/zinc/65/37/34/1049653734.db2.gz UJISLVFGITVKBW-QAPCUYQASA-N 0 1 324.468 4.213 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000775723971 1049666084 /nfs/dbraw/zinc/66/60/84/1049666084.db2.gz AZUVRTBLOMBWSI-INIZCTEOSA-N 0 1 316.832 4.122 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cc(Cl)ccc1[O-] ZINC000774485620 1049675189 /nfs/dbraw/zinc/67/51/89/1049675189.db2.gz QDOVNCPJKLMTOS-AEFFLSMTSA-N 0 1 319.832 4.128 20 10 DICDMN Oc1ccc(F)cc1CN1CCc2oc(-c3ccccc3)cc2C1 ZINC001206577975 1049760601 /nfs/dbraw/zinc/76/06/01/1049760601.db2.gz QEVWYCKMBCCEET-UHFFFAOYSA-N 0 1 323.367 4.350 20 10 DICDMN [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC001206576278 1049761119 /nfs/dbraw/zinc/76/11/19/1049761119.db2.gz BJVMUATTWMVUNI-MRXNPFEDSA-N 0 1 317.379 4.268 20 10 DICDMN C/C=C\C[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001206999002 1049819393 /nfs/dbraw/zinc/81/93/93/1049819393.db2.gz BSMBGLGEBJAEJD-WSNITJDQSA-N 0 1 308.416 4.209 20 10 DICDMN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1[O-] ZINC001207129429 1049841561 /nfs/dbraw/zinc/84/15/61/1049841561.db2.gz NLHXOWKMMQAKBZ-UHFFFAOYSA-N 0 1 319.832 4.466 20 10 DICDMN Cc1cc(O)c(CN2CCC[C@H](C(F)(F)F)C2)cc1Cl ZINC001207159607 1049848538 /nfs/dbraw/zinc/84/85/38/1049848538.db2.gz JAJUPZCCUSKZOE-NSHDSACASA-N 0 1 307.743 4.128 20 10 DICDMN Cc1ccc(C)n1-c1ccc(CN(C)Cc2ccc(C)nc2)cc1 ZINC001209519692 1050065728 /nfs/dbraw/zinc/06/57/28/1050065728.db2.gz FFGMFCKDDDTNQC-UHFFFAOYSA-N 0 1 319.452 4.430 20 10 DICDMN Cc1ccc(C)n1-c1ccc(CN2CCc3ncccc3C2)cc1 ZINC001209517675 1050065954 /nfs/dbraw/zinc/06/59/54/1050065954.db2.gz IYMDWSZNSGZSAE-UHFFFAOYSA-N 0 1 317.436 4.047 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000282652428 1050171250 /nfs/dbraw/zinc/17/12/50/1050171250.db2.gz ICQLYUUNTWNFCB-MLGOLLRUSA-N 0 1 309.837 4.046 20 10 DICDMN COc1ccc(CN[C@H](C)c2cc(F)ccc2OC)cc1C ZINC000378876997 1050191917 /nfs/dbraw/zinc/19/19/17/1050191917.db2.gz ATZSGKXDEPEKGA-CYBMUJFWSA-N 0 1 303.377 4.002 20 10 DICDMN CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000770744683 1050192932 /nfs/dbraw/zinc/19/29/32/1050192932.db2.gz BDISGDHAEHBPCB-PIGZYNQJSA-N 0 1 323.795 4.051 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](Cc2ccccn2)C(C)C)cc1Cl ZINC000824602036 1050227776 /nfs/dbraw/zinc/22/77/76/1050227776.db2.gz PXYOSQYELIBKCD-UHFFFAOYSA-N 0 1 304.821 4.160 20 10 DICDMN Cc1cc([O-])c(C[N@H+](Cc2ccccn2)C(C)C)cc1Cl ZINC000824602036 1050227782 /nfs/dbraw/zinc/22/77/82/1050227782.db2.gz PXYOSQYELIBKCD-UHFFFAOYSA-N 0 1 304.821 4.160 20 10 DICDMN C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000824716760 1050236908 /nfs/dbraw/zinc/23/69/08/1050236908.db2.gz ZYJJULYAEFDYKV-KOLCDFICSA-N 0 1 307.743 4.208 20 10 DICDMN COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825127649 1050278758 /nfs/dbraw/zinc/27/87/58/1050278758.db2.gz ZCYVXHWPMXLCRZ-NSHDSACASA-N 0 1 323.795 4.353 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CSCc3ccccc32)cc1Cl ZINC000825151412 1050280965 /nfs/dbraw/zinc/28/09/65/1050280965.db2.gz XQOHTKXANDIAAQ-MRXNPFEDSA-N 0 1 319.857 4.432 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@]3(CCSC3)C2)ccc2ccccc21 ZINC000825215261 1050285283 /nfs/dbraw/zinc/28/52/83/1050285283.db2.gz JPNWZNNNSASWHD-IBGZPJMESA-N 0 1 313.466 4.265 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@]3(CCSC3)C2)ccc2ccccc21 ZINC000825215261 1050285295 /nfs/dbraw/zinc/28/52/95/1050285295.db2.gz JPNWZNNNSASWHD-IBGZPJMESA-N 0 1 313.466 4.265 20 10 DICDMN CC[C@](C)(NCc1cc(Cl)c(C)cc1O)c1nccs1 ZINC000825291006 1050290362 /nfs/dbraw/zinc/29/03/62/1050290362.db2.gz BVMMMKYJZXOXMN-HNNXBMFYSA-N 0 1 310.850 4.226 20 10 DICDMN Cc1csc(C(C)(C)NCc2cc(Cl)c(C)cc2O)n1 ZINC000825277474 1050291235 /nfs/dbraw/zinc/29/12/35/1050291235.db2.gz ARRDEXRLESYSKZ-UHFFFAOYSA-N 0 1 310.850 4.144 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CSc3ccccc32)cc1Cl ZINC000825292035 1050291283 /nfs/dbraw/zinc/29/12/83/1050291283.db2.gz STWUBIZOOMUDEA-CQSZACIVSA-N 0 1 305.830 4.291 20 10 DICDMN CN(C)c1ccc(CN(C)Cc2cnc(C(C)(C)C)s2)cc1 ZINC000771935481 1050300584 /nfs/dbraw/zinc/30/05/84/1050300584.db2.gz VQSZOFNGMXVUAN-UHFFFAOYSA-N 0 1 317.502 4.139 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1Cl ZINC000825391567 1050302888 /nfs/dbraw/zinc/30/28/88/1050302888.db2.gz YEMGBWHQXOHOEN-CZUORRHYSA-N 0 1 311.853 4.037 20 10 DICDMN COCC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])c1ccc(C)o1 ZINC000825447288 1050306894 /nfs/dbraw/zinc/30/68/94/1050306894.db2.gz SNUWNSQRSSNHGT-HNNXBMFYSA-N 0 1 323.820 4.123 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](C)c2nccs2)cc1Cl ZINC000825500865 1050309080 /nfs/dbraw/zinc/30/90/80/1050309080.db2.gz JBHGBEJULMWQCT-NSHDSACASA-N 0 1 310.850 4.046 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](C)c2nccs2)cc1Cl ZINC000825500865 1050309088 /nfs/dbraw/zinc/30/90/88/1050309088.db2.gz JBHGBEJULMWQCT-NSHDSACASA-N 0 1 310.850 4.046 20 10 DICDMN C[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCCc2ccccc21 ZINC000734843497 1050324987 /nfs/dbraw/zinc/32/49/87/1050324987.db2.gz LXWSHXASDIZTDH-SFHVURJKSA-N 0 1 301.817 4.387 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1cc(Cl)ccc1[O-] ZINC000783328390 1050485401 /nfs/dbraw/zinc/48/54/01/1050485401.db2.gz AHWTWXBYEXWXDC-NHYWBVRUSA-N 0 1 320.820 4.251 20 10 DICDMN CCS[C@H]1CCCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738217892 1050523892 /nfs/dbraw/zinc/52/38/92/1050523892.db2.gz CHNGFTSGJJAFGU-HNNXBMFYSA-N 0 1 316.470 4.048 20 10 DICDMN CCS[C@H]1CCCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738217892 1050523909 /nfs/dbraw/zinc/52/39/09/1050523909.db2.gz CHNGFTSGJJAFGU-HNNXBMFYSA-N 0 1 316.470 4.048 20 10 DICDMN Cn1cncc1Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001211251229 1050527369 /nfs/dbraw/zinc/52/73/69/1050527369.db2.gz WCVSFWQXIDWIFU-UHFFFAOYSA-N 0 1 311.772 4.048 20 10 DICDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299863 1050533790 /nfs/dbraw/zinc/53/37/90/1050533790.db2.gz KULPLZFJTPJOKC-SNVBAGLBSA-N 0 1 316.214 4.058 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cc2ccccc2o1 ZINC000740011432 1050595386 /nfs/dbraw/zinc/59/53/86/1050595386.db2.gz NSDDBNNIKSYYLQ-UHFFFAOYSA-N 0 1 301.773 4.124 20 10 DICDMN COc1cccc([C@H](C)NCc2c(F)cccc2Cl)c1O ZINC000846142857 1050683758 /nfs/dbraw/zinc/68/37/58/1050683758.db2.gz WPQJUCMNOOMMJM-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000846189888 1050690992 /nfs/dbraw/zinc/69/09/92/1050690992.db2.gz VQFFPDFIXGUSNB-WMZOPIPTSA-N 0 1 323.864 4.292 20 10 DICDMN Cc1cc(C)c([C@H](C)NCc2ccn(C3CCCC3)n2)c(O)c1 ZINC000788672209 1050729798 /nfs/dbraw/zinc/72/97/98/1050729798.db2.gz PEYOOTAZWPUEPQ-HNNXBMFYSA-N 0 1 313.445 4.171 20 10 DICDMN COc1c2ccccc2oc1CNCc1ccc(OC)c(C)c1 ZINC000788969745 1050766679 /nfs/dbraw/zinc/76/66/79/1050766679.db2.gz NGDBWOQWDNZUHZ-UHFFFAOYSA-N 0 1 311.381 4.048 20 10 DICDMN COc1cc(Cl)cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c1O ZINC000761198544 1050773722 /nfs/dbraw/zinc/77/37/22/1050773722.db2.gz QGLAXXHTIJXAPD-QMTHXVAHSA-N 0 1 321.804 4.060 20 10 DICDMN COc1cc(Cl)cc(CN2CCCc3sccc3C2)c1O ZINC000761199624 1050774680 /nfs/dbraw/zinc/77/46/80/1050774680.db2.gz QJCFEVGFVBXOGE-UHFFFAOYSA-N 0 1 323.845 4.064 20 10 DICDMN C[C@@H](NCC(F)(F)c1ccccc1)c1cc(F)cc(F)c1O ZINC000788980022 1050778371 /nfs/dbraw/zinc/77/83/71/1050778371.db2.gz JXYQIFXSIWVLQL-SNVBAGLBSA-N 0 1 313.294 4.113 20 10 DICDMN CC1(C)[C@@H]2C[N@@H+](Cc3cc4oc5ccccc5c4cc3[O-])C[C@@H]21 ZINC000742165369 1050807016 /nfs/dbraw/zinc/80/70/16/1050807016.db2.gz IFLLUJOQLXFVAJ-IYBDPMFKSA-N 0 1 307.393 4.379 20 10 DICDMN CC1(C)[C@@H]2C[N@H+](Cc3cc4oc5ccccc5c4cc3[O-])C[C@@H]21 ZINC000742165369 1050807028 /nfs/dbraw/zinc/80/70/28/1050807028.db2.gz IFLLUJOQLXFVAJ-IYBDPMFKSA-N 0 1 307.393 4.379 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000742152570 1050807996 /nfs/dbraw/zinc/80/79/96/1050807996.db2.gz IWZZLDCJVAHPSR-KRWDZBQOSA-N 0 1 318.420 4.005 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000742152570 1050808006 /nfs/dbraw/zinc/80/80/06/1050808006.db2.gz IWZZLDCJVAHPSR-KRWDZBQOSA-N 0 1 318.420 4.005 20 10 DICDMN Fc1cc(-c2ccco2)ccc1CNCc1ccc2c(c1)CCO2 ZINC000790483619 1050961991 /nfs/dbraw/zinc/96/19/91/1050961991.db2.gz JQGLBQJDAAQGSN-UHFFFAOYSA-N 0 1 323.367 4.310 20 10 DICDMN Cc1cc(CN[C@@H](C)c2ccc(F)cc2F)ccc1N(C)C ZINC000772994790 1050966656 /nfs/dbraw/zinc/96/66/56/1050966656.db2.gz BKRZBDORHVQRDL-ZDUSSCGKSA-N 0 1 304.384 4.190 20 10 DICDMN Cc1cc(CN[C@H](C)c2cc(F)ccc2F)ccc1N(C)C ZINC000772999600 1051013724 /nfs/dbraw/zinc/01/37/24/1051013724.db2.gz NFIPWEBJBCVZKW-CYBMUJFWSA-N 0 1 304.384 4.190 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2ccc(OC)cc2F)cc1 ZINC000773039453 1051035305 /nfs/dbraw/zinc/03/53/05/1051035305.db2.gz HJDYHAIUFTWHOH-AWEZNQCLSA-N 0 1 316.420 4.141 20 10 DICDMN C[C@@H](N[C@H]1COc2c1cccc2Cl)c1ccc(N(C)C)cc1 ZINC000773039416 1051036506 /nfs/dbraw/zinc/03/65/06/1051036506.db2.gz GKZLQTDKDYXNBI-PXAZEXFGSA-N 0 1 316.832 4.190 20 10 DICDMN C[C@H](N[C@@H]1COc2ccc(Cl)cc21)c1ccc(N(C)C)cc1 ZINC000773058453 1051044290 /nfs/dbraw/zinc/04/42/90/1051044290.db2.gz HTECGEJKMGYHIA-YVEFUNNKSA-N 0 1 316.832 4.190 20 10 DICDMN Cc1cc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)ncn1 ZINC000773107004 1051064824 /nfs/dbraw/zinc/06/48/24/1051064824.db2.gz NQSGYPLQTMXRMM-QGZVFWFLSA-N 0 1 324.472 4.016 20 10 DICDMN CN(C)/C=C/c1ccncc1NCc1cc2ccccc2cc1O ZINC001171405974 1051090313 /nfs/dbraw/zinc/09/03/13/1051090313.db2.gz CPUSNZHSGXVQFD-CSKARUKUSA-N 0 1 319.408 4.085 20 10 DICDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171407487 1051096232 /nfs/dbraw/zinc/09/62/32/1051096232.db2.gz IQDGXIMIPMHUCR-GOSISDBHSA-N 0 1 321.395 4.332 20 10 DICDMN COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1F ZINC000037074647 1051109514 /nfs/dbraw/zinc/10/95/14/1051109514.db2.gz KJKQJRMBZALLFH-JTQLQIEISA-N 0 1 309.768 4.044 20 10 DICDMN CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000037107939 1051111656 /nfs/dbraw/zinc/11/16/56/1051111656.db2.gz JZXQDYJTEFOIBQ-LBPRGKRZSA-N 0 1 305.805 4.295 20 10 DICDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](C)c1cccc(O)c1 ZINC000792166623 1051123869 /nfs/dbraw/zinc/12/38/69/1051123869.db2.gz FBHPSEDNSWGJTQ-LLVKDONJSA-N 0 1 323.795 4.473 20 10 DICDMN COc1ccc(Cl)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000792285280 1051130339 /nfs/dbraw/zinc/13/03/39/1051130339.db2.gz GRFLIIQNGFMCIQ-CYBMUJFWSA-N 0 1 318.848 4.265 20 10 DICDMN CCC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000793241490 1051271101 /nfs/dbraw/zinc/27/11/01/1051271101.db2.gz PBZYWYUVODNEEI-AEFFLSMTSA-N 0 1 319.832 4.038 20 10 DICDMN CC1(C)CN(Cc2cc3c(cc2O)CCCC3)[C@H]1c1cccnc1 ZINC000793573296 1051325196 /nfs/dbraw/zinc/32/51/96/1051325196.db2.gz VYVOLDWFHUKMAL-FQEVSTJZSA-N 0 1 322.452 4.249 20 10 DICDMN C[C@@]12CC[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]1C2(Cl)Cl ZINC000793612823 1051327835 /nfs/dbraw/zinc/32/78/35/1051327835.db2.gz LJOSOBAVGMFPNX-QWHCGFSZSA-N 0 1 320.647 4.061 20 10 DICDMN C[C@@]12CC[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]1C2(Cl)Cl ZINC000793612823 1051327848 /nfs/dbraw/zinc/32/78/48/1051327848.db2.gz LJOSOBAVGMFPNX-QWHCGFSZSA-N 0 1 320.647 4.061 20 10 DICDMN CCCCCn1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC000767426678 1051807863 /nfs/dbraw/zinc/80/78/63/1051807863.db2.gz KPBKCBPZPJKMDO-UHFFFAOYSA-N 0 1 321.852 4.031 20 10 DICDMN C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000768199469 1051894455 /nfs/dbraw/zinc/89/44/55/1051894455.db2.gz WAPFLHSJWBBPKQ-LBPRGKRZSA-N 0 1 320.230 4.348 20 10 DICDMN CN(C)c1ccc(CN(Cc2ccc(Cl)o2)C2CC2)cc1 ZINC000768258203 1051909436 /nfs/dbraw/zinc/90/94/36/1051909436.db2.gz UHZFXLQBNJDLEF-UHFFFAOYSA-N 0 1 304.821 4.164 20 10 DICDMN CCOc1ccc(CN(C)[C@@H](C)c2cc(F)ccc2F)c(O)c1 ZINC000768267208 1051912419 /nfs/dbraw/zinc/91/24/19/1051912419.db2.gz OEFVIECVCUIGEN-LBPRGKRZSA-N 0 1 321.367 4.262 20 10 DICDMN Cc1ccc(-c2noc(-c3cc(O)c(O)c(Cl)c3)n2)c(C)c1 ZINC001216977112 1051924148 /nfs/dbraw/zinc/92/41/48/1051924148.db2.gz DPJSPDKUGJYITH-UHFFFAOYSA-N 0 1 316.744 4.085 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000768362035 1051924660 /nfs/dbraw/zinc/92/46/60/1051924660.db2.gz YLAPBRAEYNOUSQ-OAHLLOKOSA-N 0 1 323.223 4.431 20 10 DICDMN CCCCC[NH+](CCCCC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438543 1051932971 /nfs/dbraw/zinc/93/29/71/1051932971.db2.gz BKLRLNIABLIXGG-GOSISDBHSA-N 0 1 321.461 4.000 20 10 DICDMN C[C@@H]1CC/C(=C/C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807835912 1051937443 /nfs/dbraw/zinc/93/74/43/1051937443.db2.gz MNLMBLLXRQVLDN-JRZFIGEHSA-N 0 1 314.212 4.062 20 10 DICDMN Cc1occc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769058004 1051996168 /nfs/dbraw/zinc/99/61/68/1051996168.db2.gz ILPGFJOLEIQPAL-UHFFFAOYSA-N 0 1 300.185 4.232 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769107581 1051999314 /nfs/dbraw/zinc/99/93/14/1051999314.db2.gz YMTBODILYJDBOM-INIZCTEOSA-N 0 1 303.789 4.088 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769107581 1051999324 /nfs/dbraw/zinc/99/93/24/1051999324.db2.gz YMTBODILYJDBOM-INIZCTEOSA-N 0 1 303.789 4.088 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769314072 1052021233 /nfs/dbraw/zinc/02/12/33/1052021233.db2.gz COPBGAMJLVCHCF-SFHVURJKSA-N 0 1 317.816 4.009 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769314072 1052021245 /nfs/dbraw/zinc/02/12/45/1052021245.db2.gz COPBGAMJLVCHCF-SFHVURJKSA-N 0 1 317.816 4.009 20 10 DICDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCS1 ZINC000769446290 1052054379 /nfs/dbraw/zinc/05/43/79/1052054379.db2.gz MCWGHDZMWSRHMN-LLVKDONJSA-N 0 1 306.258 4.026 20 10 DICDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769445679 1052054969 /nfs/dbraw/zinc/05/49/69/1052054969.db2.gz KIOYBGGOUDJIEG-BDAKNGLRSA-N 0 1 306.258 4.025 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769502899 1052067877 /nfs/dbraw/zinc/06/78/77/1052067877.db2.gz DXOTYBYAHJGRHS-OAHLLOKOSA-N 0 1 316.832 4.122 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769502899 1052067889 /nfs/dbraw/zinc/06/78/89/1052067889.db2.gz DXOTYBYAHJGRHS-OAHLLOKOSA-N 0 1 316.832 4.122 20 10 DICDMN CCOc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000769499847 1052070383 /nfs/dbraw/zinc/07/03/83/1052070383.db2.gz RJUVKEJFIJWARC-KRWDZBQOSA-N 0 1 317.816 4.391 20 10 DICDMN CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000808720832 1052079818 /nfs/dbraw/zinc/07/98/18/1052079818.db2.gz ZMBMHSQNSDLYLC-PUECVXPYSA-N 0 1 319.832 4.208 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769560539 1052083392 /nfs/dbraw/zinc/08/33/92/1052083392.db2.gz VQOPMMKTRORAJH-NSHDSACASA-N 0 1 323.770 4.313 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000808727590 1052084167 /nfs/dbraw/zinc/08/41/67/1052084167.db2.gz JNMPTMSESXJKHF-GDBMZVCRSA-N 0 1 319.404 4.372 20 10 DICDMN Nc1ccc(Cc2ccc(Nc3ccc4nccn4c3)cc2)cc1 ZINC001174277935 1052085863 /nfs/dbraw/zinc/08/58/63/1052085863.db2.gz OERJTKSWOVUEGO-UHFFFAOYSA-N 0 1 314.392 4.251 20 10 DICDMN Nc1ccc(Cc2ccccc2Nc2ccc3nccn3c2)cc1 ZINC001174277927 1052086333 /nfs/dbraw/zinc/08/63/33/1052086333.db2.gz NRPZXQCHUZRHTH-UHFFFAOYSA-N 0 1 314.392 4.251 20 10 DICDMN CCC1(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000324360986 1052285257 /nfs/dbraw/zinc/28/52/57/1052285257.db2.gz VVNPNDJXHVCWHX-OAHLLOKOSA-N 0 1 313.441 4.403 20 10 DICDMN C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc2ccccc2c1[O-] ZINC000324389259 1052308490 /nfs/dbraw/zinc/30/84/90/1052308490.db2.gz PPKXUAOBSOMOTK-RHSMWYFYSA-N 0 1 319.404 4.200 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cccc(C)c2)c1[O-] ZINC000314956294 1052327244 /nfs/dbraw/zinc/32/72/44/1052327244.db2.gz ARGYTXCHEAFZQF-UHFFFAOYSA-N 0 1 317.816 4.189 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cccc(C)c2)c1[O-] ZINC000314956294 1052327249 /nfs/dbraw/zinc/32/72/49/1052327249.db2.gz ARGYTXCHEAFZQF-UHFFFAOYSA-N 0 1 317.816 4.189 20 10 DICDMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(N(C)C)cc1 ZINC000315409084 1052337586 /nfs/dbraw/zinc/33/75/86/1052337586.db2.gz IQJQZKFNJFXFKP-STQMWFEESA-N 0 1 304.384 4.443 20 10 DICDMN CC(C)(C)OC1CC(CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000762457881 1052386465 /nfs/dbraw/zinc/38/64/65/1052386465.db2.gz VAAJCUGEPABHQM-UHFFFAOYSA-N 0 1 311.853 4.119 20 10 DICDMN C[C@H](OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1)c1cncnc1 ZINC001227488225 1052995366 /nfs/dbraw/zinc/99/53/66/1052995366.db2.gz DUXOGFPVRUXVDI-PIBWJKQFSA-N 0 1 321.340 4.133 20 10 DICDMN C[C@@H](OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1)c1ncccn1 ZINC001227487643 1052995610 /nfs/dbraw/zinc/99/56/10/1052995610.db2.gz XRRSWZCQCDKPTH-AFRFTAIISA-N 0 1 321.340 4.133 20 10 DICDMN C[C@@H](OC1=CC(=O)C=CC1=N[N-]c1cccc[nH+]1)c1cnccn1 ZINC001227493262 1052996011 /nfs/dbraw/zinc/99/60/11/1052996011.db2.gz XEAODGRSFJVVMW-AFRFTAIISA-N 0 1 321.340 4.133 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCCCC2)c1 ZINC001236673455 1053182493 /nfs/dbraw/zinc/18/24/93/1053182493.db2.gz MJBHNJPIPXZVFL-UHFFFAOYSA-N 0 1 312.251 4.228 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC1(F)F ZINC001236792587 1053255773 /nfs/dbraw/zinc/25/57/73/1053255773.db2.gz FKOAHBINJVOEFM-QMMMGPOBSA-N 0 1 310.171 4.176 20 10 DICDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236792575 1053256692 /nfs/dbraw/zinc/25/66/92/1053256692.db2.gz FHCKRQHOOVMSOF-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])c1ccc(C)cc1 ZINC000181709717 1053282011 /nfs/dbraw/zinc/28/20/11/1053282011.db2.gz DUKFNLMHGBRSKC-SFHVURJKSA-N 0 1 315.388 4.283 20 10 DICDMN CC[C@H]([NH2+]CCCc1nc(C)cs1)c1cc(Cl)ccc1[O-] ZINC001320399186 1053330226 /nfs/dbraw/zinc/33/02/26/1053330226.db2.gz XCWPDSNYLNIZJX-AWEZNQCLSA-N 0 1 324.877 4.484 20 10 DICDMN CCCCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000182386571 1053427064 /nfs/dbraw/zinc/42/70/64/1053427064.db2.gz PAFOYRIJSOKWRV-LBPRGKRZSA-N 0 1 320.458 4.051 20 10 DICDMN C[C@@H](N[C@H]1CCc2cccc(O)c21)c1nc(C(C)(C)C)cs1 ZINC001324543386 1053660736 /nfs/dbraw/zinc/66/07/36/1053660736.db2.gz SVGIMROBCSKFHV-YPMHNXCESA-N 0 1 316.470 4.484 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001200485333 1053694733 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LLPTXDXQKWPLJC-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231911485 1053916353 /nfs/dbraw/zinc/91/63/53/1053916353.db2.gz HFOMBCKNPMVOGH-HNNXBMFYSA-N 0 1 317.816 4.007 20 10 DICDMN COc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001231912559 1053916721 /nfs/dbraw/zinc/91/67/21/1053916721.db2.gz NMPRYMMFISDMRL-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN Cc1cnc(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)s1 ZINC000763672953 1053989235 /nfs/dbraw/zinc/98/92/35/1053989235.db2.gz CQLJYUIQIQGDMY-UHFFFAOYSA-N 0 1 322.861 4.190 20 10 DICDMN [O-]c1cc(O)c(C[NH+]2CCC3(CCCCC3)CC2)cc1Cl ZINC001232260953 1054005869 /nfs/dbraw/zinc/00/58/69/1054005869.db2.gz UIFDUEVVRYTUQS-UHFFFAOYSA-N 0 1 309.837 4.298 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1Cl ZINC001232265256 1054006465 /nfs/dbraw/zinc/00/64/65/1054006465.db2.gz RXBSTXAMULKAFY-INIZCTEOSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2c2ccccc2)cc1Cl ZINC001232265256 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VUEQKGREJPQYSB-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN COc1cccc(F)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC001334734294 1054196900 /nfs/dbraw/zinc/19/69/00/1054196900.db2.gz VUEQKGREJPQYSB-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN Nc1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC001335288844 1054211492 /nfs/dbraw/zinc/21/14/92/1054211492.db2.gz IDKDWEJCEVXUHF-QGZVFWFLSA-N 0 1 307.397 4.137 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001233283922 1054221750 /nfs/dbraw/zinc/22/17/50/1054221750.db2.gz AYEZOLMEXQSVMI-IAGOWNOFSA-N 0 1 315.457 4.023 20 10 DICDMN CN(Cc1ccc(Cl)o1)Cc1ccc(N2CCCC2)cc1 ZINC001233316278 1054229576 /nfs/dbraw/zinc/22/95/76/1054229576.db2.gz WZSNDXLEVLETRW-UHFFFAOYSA-N 0 1 304.821 4.165 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001233336709 1054238342 /nfs/dbraw/zinc/23/83/42/1054238342.db2.gz WPMBUCUHYKOMKK-CQSZACIVSA-N 0 1 321.342 4.017 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001233336251 1054240241 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[O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001233452269 1054278204 /nfs/dbraw/zinc/27/82/04/1054278204.db2.gz POXLQFBTIWEGAJ-UHFFFAOYSA-N 0 1 309.278 4.032 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC001233452269 1054278214 /nfs/dbraw/zinc/27/82/14/1054278214.db2.gz POXLQFBTIWEGAJ-UHFFFAOYSA-N 0 1 309.278 4.032 20 10 DICDMN CCc1cccc(CN(C)Cc2nc3ccccc3s2)c1O ZINC000848880933 1054280314 /nfs/dbraw/zinc/28/03/14/1054280314.db2.gz UJJYFZZIXAULJC-UHFFFAOYSA-N 0 1 312.438 4.196 20 10 DICDMN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nc(C2CC2)cs1 ZINC001337797714 1054286424 /nfs/dbraw/zinc/28/64/24/1054286424.db2.gz BWOXDENNNWYZNI-AAEUAGOBSA-N 0 1 314.454 4.373 20 10 DICDMN CCc1cccc(CN2CCC[C@@H]2c2csc(C)n2)c1O ZINC000848904306 1054293014 /nfs/dbraw/zinc/29/30/14/1054293014.db2.gz PVGRCBRIPBGLKY-MRXNPFEDSA-N 0 1 302.443 4.057 20 10 DICDMN [O-]c1c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)ccc2ccccc21 ZINC000848928230 1054301733 /nfs/dbraw/zinc/30/17/33/1054301733.db2.gz BDELLJKZYSMGHX-KRWDZBQOSA-N 0 1 311.425 4.127 20 10 DICDMN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727160 1054345046 /nfs/dbraw/zinc/34/50/46/1054345046.db2.gz JNLNWSYSVBTVQI-GHMZBOCLSA-N 0 1 303.324 4.054 20 10 DICDMN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727164 1054345503 /nfs/dbraw/zinc/34/55/03/1054345503.db2.gz JNLNWSYSVBTVQI-PHIMTYICSA-N 0 1 303.324 4.054 20 10 DICDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233727164 1054345511 /nfs/dbraw/zinc/34/55/11/1054345511.db2.gz JNLNWSYSVBTVQI-PHIMTYICSA-N 0 1 303.324 4.054 20 10 DICDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CCCCC1 ZINC001233728745 1054346472 /nfs/dbraw/zinc/34/64/72/1054346472.db2.gz ZYINUAXWJRXLLJ-UHFFFAOYSA-N 0 1 303.324 4.055 20 10 DICDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CCCCC1 ZINC001233728745 1054346486 /nfs/dbraw/zinc/34/64/86/1054346486.db2.gz ZYINUAXWJRXLLJ-UHFFFAOYSA-N 0 1 303.324 4.055 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cccc1OC(F)(F)F ZINC001233761120 1054353140 /nfs/dbraw/zinc/35/31/40/1054353140.db2.gz QBFWVSUVCFCYKA-YPMHNXCESA-N 0 1 315.335 4.055 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cccc1OC(F)(F)F ZINC001233761120 1054353153 /nfs/dbraw/zinc/35/31/53/1054353153.db2.gz QBFWVSUVCFCYKA-YPMHNXCESA-N 0 1 315.335 4.055 20 10 DICDMN CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760056 1054353316 /nfs/dbraw/zinc/35/33/16/1054353316.db2.gz AWNRBHMGZLDLMT-GFCCVEGCSA-N 0 1 303.324 4.055 20 10 DICDMN CC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233760056 1054353325 /nfs/dbraw/zinc/35/33/25/1054353325.db2.gz AWNRBHMGZLDLMT-GFCCVEGCSA-N 0 1 303.324 4.055 20 10 DICDMN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cc1 ZINC000185098965 1054364956 /nfs/dbraw/zinc/36/49/56/1054364956.db2.gz JIUBVHDXXLGHSI-YWZLYKJASA-N 0 1 321.420 4.238 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc2ccccc2c1[O-] ZINC000185119933 1054380220 /nfs/dbraw/zinc/38/02/20/1054380220.db2.gz KZSUPTOAARDZII-CABCVRRESA-N 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[O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237121439 1055373827 /nfs/dbraw/zinc/37/38/27/1055373827.db2.gz NBLXDBAUMRLXEL-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001237121439 1055373839 /nfs/dbraw/zinc/37/38/39/1055373839.db2.gz NBLXDBAUMRLXEL-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN CCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)[C@@H](C)CC ZINC001237120514 1055373979 /nfs/dbraw/zinc/37/39/79/1055373979.db2.gz QFTVAIAXYVUQRS-NSHDSACASA-N 0 1 305.340 4.301 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001237127105 1055377629 /nfs/dbraw/zinc/37/76/29/1055377629.db2.gz UZTVCWJWPCLQDJ-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001237127105 1055377644 /nfs/dbraw/zinc/37/76/44/1055377644.db2.gz UZTVCWJWPCLQDJ-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001237124689 1055379022 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C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])[C@H]1CCc2ccccc21 ZINC001237940834 1055563788 /nfs/dbraw/zinc/56/37/88/1055563788.db2.gz DIRMPWKFRUHAQU-INIZCTEOSA-N 0 1 305.780 4.304 20 10 DICDMN Cc1cc(F)cc(CN2CCC[C@@H]2c2cc(F)ccc2F)c1O ZINC001238062846 1055598068 /nfs/dbraw/zinc/59/80/68/1055598068.db2.gz SQDRZNYPTLMODZ-QGZVFWFLSA-N 0 1 321.342 4.455 20 10 DICDMN CCN(Cc1cccc(F)c1F)Cc1cc(F)cc(C)c1O ZINC001238064480 1055598667 /nfs/dbraw/zinc/59/86/67/1055598667.db2.gz CQFIQGYCWLKSCQ-UHFFFAOYSA-N 0 1 309.331 4.140 20 10 DICDMN Cc1cc(F)cc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001238788982 1055753682 /nfs/dbraw/zinc/75/36/82/1055753682.db2.gz RFXIHRXUPVAVNY-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN CC(C)CCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001570027426 1055882185 /nfs/dbraw/zinc/88/21/85/1055882185.db2.gz IQPGCFOHIMUCPA-UHFFFAOYSA-N 0 1 304.217 4.142 20 10 DICDMN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cc1F ZINC001620804538 1055999283 /nfs/dbraw/zinc/99/92/83/1055999283.db2.gz MRVINKKOVLMTCF-QGZVFWFLSA-N 0 1 322.374 4.411 20 10 DICDMN Cc1c2ccccc2n(C)c1CN[C@@H]1CSc2ccccc21 ZINC001620807924 1056002090 /nfs/dbraw/zinc/00/20/90/1056002090.db2.gz TVSCNTAFJBJTQQ-MRXNPFEDSA-N 0 1 308.450 4.423 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)Oc2ccccc2F)c(Cl)c1 ZINC001620814733 1056009531 /nfs/dbraw/zinc/00/95/31/1056009531.db2.gz YIYFXIFKUWSVGM-LBPRGKRZSA-N 0 1 323.795 4.050 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC001621327361 1056034323 /nfs/dbraw/zinc/03/43/23/1056034323.db2.gz QCKRWVJUZRYPGK-UHFFFAOYSA-N 0 1 307.743 4.210 20 10 DICDMN Fc1ccc([C@H](NCc2ccc3c(c2)CCO3)C2CC2)c(F)c1 ZINC001620820386 1056167994 /nfs/dbraw/zinc/16/79/94/1056167994.db2.gz RLWMCDXQLRMOOT-LJQANCHMSA-N 0 1 315.363 4.141 20 10 DICDMN CC[C@H](NCc1ccc2c(c1)CCCO2)c1nc(C)cs1 ZINC000921699357 1056334571 /nfs/dbraw/zinc/33/45/71/1056334571.db2.gz VVCVRWMGVFLLME-HNNXBMFYSA-N 0 1 302.443 4.017 20 10 DICDMN CC[C@@H](NCc1ccc2c(c1)CCCO2)c1nc2ccccc2[nH]1 ZINC000921759909 1056464982 /nfs/dbraw/zinc/46/49/82/1056464982.db2.gz BVYIYLPWJWJRPI-MRXNPFEDSA-N 0 1 321.424 4.129 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1[O-] ZINC001615543615 1056533483 /nfs/dbraw/zinc/53/34/83/1056533483.db2.gz MMKSHOPGQHJJHS-NEPJUHHUSA-N 0 1 309.837 4.259 20 10 DICDMN Oc1c(F)cc(F)cc1Nc1ccncc1Oc1ccccc1 ZINC001212478191 1056778116 /nfs/dbraw/zinc/77/81/16/1056778116.db2.gz ZSYDGVFLCAYSAU-UHFFFAOYSA-N 0 1 314.291 4.023 20 10 DICDMN Cc1ccc(C)n1-c1ccc(-c2cc3cn[nH]c3cc2C)cn1 ZINC001242283910 1057319717 /nfs/dbraw/zinc/31/97/17/1057319717.db2.gz VDQKNIZLGGSZDB-UHFFFAOYSA-N 0 1 302.381 4.341 20 10 DICDMN C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1c([O-])cccc1F ZINC001137839286 1057467588 /nfs/dbraw/zinc/46/75/88/1057467588.db2.gz ZVNLIHBPPLTEEE-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000732233193 1057771494 /nfs/dbraw/zinc/77/14/94/1057771494.db2.gz XLYMVTASYOGUPM-IRXDYDNUSA-N 0 1 301.817 4.472 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cc2c(s1)CCCC2 ZINC000733327230 1057813781 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CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]2(C)C2CCCCC2)c1[O-] ZINC001560096103 1059905075 /nfs/dbraw/zinc/90/50/75/1059905075.db2.gz LXIRUPBGGIQQHH-LJQANCHMSA-N 0 1 319.420 4.279 20 10 DICDMN COc1ccc(CNCc2cc(C)ccc2OC(F)F)cc1C ZINC001560395423 1060180157 /nfs/dbraw/zinc/18/01/57/1060180157.db2.gz NWYOPKFQLWZTLS-UHFFFAOYSA-N 0 1 321.367 4.203 20 10 DICDMN Cc1cccc(C)c1C[NH2+]Cc1c([O-])cccc1Br ZINC001560410652 1060194984 /nfs/dbraw/zinc/19/49/84/1060194984.db2.gz JSHHGTDMWZPZCJ-UHFFFAOYSA-N 0 1 320.230 4.061 20 10 DICDMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249259071 1060203000 /nfs/dbraw/zinc/20/30/00/1060203000.db2.gz QNFCOVQXNPKYIH-MRXNPFEDSA-N 0 1 301.430 4.197 20 10 DICDMN CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)ccc2O1 ZINC001249252670 1060203500 /nfs/dbraw/zinc/20/35/00/1060203500.db2.gz QDXHVUCHLDROES-WMLDXEAASA-N 0 1 313.441 4.341 20 10 DICDMN CCO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)c1ccccc1 ZINC001560456856 1060248296 /nfs/dbraw/zinc/24/82/96/1060248296.db2.gz JRXKQLPNPDVUKM-GOSISDBHSA-N 0 1 319.832 4.221 20 10 DICDMN CCSc1ccccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC001560582593 1060396750 /nfs/dbraw/zinc/39/67/50/1060396750.db2.gz MLVKKLCCIZYXQE-UHFFFAOYSA-N 0 1 321.873 4.490 20 10 DICDMN CN(Cc1ccccc1O)Cc1cc(Cl)cc(Cl)c1F ZINC001249941759 1060496517 /nfs/dbraw/zinc/49/65/17/1060496517.db2.gz MKZSXIASFUGQRD-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN COc1ccc(CN(C)Cc2c(O)cc(C)cc2Cl)cc1F ZINC001560669826 1060500953 /nfs/dbraw/zinc/50/09/53/1060500953.db2.gz FJZLRUOZUDIUMW-UHFFFAOYSA-N 0 1 323.795 4.134 20 10 DICDMN CCS[C@H]1CC[C@H]([N@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676649 1060514364 /nfs/dbraw/zinc/51/43/64/1060514364.db2.gz IGSGAMGABYAALR-STQMWFEESA-N 0 1 313.894 4.460 20 10 DICDMN CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001560676649 1060514385 /nfs/dbraw/zinc/51/43/85/1060514385.db2.gz IGSGAMGABYAALR-STQMWFEESA-N 0 1 313.894 4.460 20 10 DICDMN CC(C)[N@@H+](CCc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001560678631 1060518506 /nfs/dbraw/zinc/51/85/06/1060518506.db2.gz MCEOEHCELPXSKC-UHFFFAOYSA-N 0 1 305.368 4.124 20 10 DICDMN Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(F)c(F)cc2[O-])c(C)c1 ZINC001560681906 1060524250 /nfs/dbraw/zinc/52/42/50/1060524250.db2.gz XNMKEEUVDLHUQU-ZDUSSCGKSA-N 0 1 305.368 4.480 20 10 DICDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC001560728374 1060594002 /nfs/dbraw/zinc/59/40/02/1060594002.db2.gz QLSQXELPIXCCME-HNNXBMFYSA-N 0 1 319.807 4.392 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1Cl ZINC001560737119 1060606340 /nfs/dbraw/zinc/60/63/40/1060606340.db2.gz SQTWBPCLOVFDJR-JKSUJKDBSA-N 0 1 311.853 4.036 20 10 DICDMN COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cccc(F)c1[O-])[C@@H]2C ZINC001560745796 1060614167 /nfs/dbraw/zinc/61/41/67/1060614167.db2.gz AUMIRYTUPCFZPF-CHWSQXEVSA-N 0 1 315.388 4.048 20 10 DICDMN Cc1cc(F)cc2c1CN(C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC001560783783 1060644880 /nfs/dbraw/zinc/64/48/80/1060644880.db2.gz LUVBXKGJNPBCGK-SNAWJCMRSA-N 0 1 324.443 4.272 20 10 DICDMN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560821190 1060678903 /nfs/dbraw/zinc/67/89/03/1060678903.db2.gz NSNWLVAIOFYPPT-SJKOYZFVSA-N 0 1 303.352 4.254 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001560823301 1060681768 /nfs/dbraw/zinc/68/17/68/1060681768.db2.gz BSQAXBVNBPESJL-UHFFFAOYSA-N 0 1 313.828 4.483 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001560823301 1060681776 /nfs/dbraw/zinc/68/17/76/1060681776.db2.gz BSQAXBVNBPESJL-UHFFFAOYSA-N 0 1 313.828 4.483 20 10 DICDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1CC(OC(C)(C)C)C1 ZINC001560892872 1060753283 /nfs/dbraw/zinc/75/32/83/1060753283.db2.gz ZHNXKHNSPONBDS-UHFFFAOYSA-N 0 1 313.441 4.323 20 10 DICDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CC(OC(C)(C)C)C1 ZINC001560892872 1060753300 /nfs/dbraw/zinc/75/33/00/1060753300.db2.gz ZHNXKHNSPONBDS-UHFFFAOYSA-N 0 1 313.441 4.323 20 10 DICDMN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C2CCCCC2)c1[O-] ZINC001462178231 1060996948 /nfs/dbraw/zinc/99/69/48/1060996948.db2.gz LXAQCJJCQOEURS-LBPRGKRZSA-N 0 1 311.853 4.455 20 10 DICDMN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C2CCCCC2)c1[O-] ZINC001462178231 1060996961 /nfs/dbraw/zinc/99/69/61/1060996961.db2.gz LXAQCJJCQOEURS-LBPRGKRZSA-N 0 1 311.853 4.455 20 10 DICDMN COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC001462392827 1061145509 /nfs/dbraw/zinc/14/55/09/1061145509.db2.gz HIIXVRZIGVHXCV-STQMWFEESA-N 0 1 319.832 4.336 20 10 DICDMN COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC001462392819 1061146086 /nfs/dbraw/zinc/14/60/86/1061146086.db2.gz HIIXVRZIGVHXCV-QWHCGFSZSA-N 0 1 319.832 4.336 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cc(Cl)ccc2O)c(Cl)c1 ZINC001462396484 1061147437 /nfs/dbraw/zinc/14/74/37/1061147437.db2.gz QLPRXKAGEUDUQM-UHFFFAOYSA-N 0 1 312.196 4.003 20 10 DICDMN COc1cc(Cl)cc(CNCc2cscc2Cl)c1O ZINC001462588930 1061283552 /nfs/dbraw/zinc/28/35/52/1061283552.db2.gz QVPYGNXRNNHPRS-UHFFFAOYSA-N 0 1 318.225 4.059 20 10 DICDMN Oc1ccc(Cl)c(F)c1CN[C@@H](c1ccccc1)C(F)F ZINC001462684088 1061336708 /nfs/dbraw/zinc/33/67/08/1061336708.db2.gz ZFPMUDSUOZBBNY-AWEZNQCLSA-N 0 1 315.722 4.281 20 10 DICDMN CCOc1cccc(Cl)c1CN[C@@H](C)c1ccccc1O ZINC001473724539 1061373310 /nfs/dbraw/zinc/37/33/10/1061373310.db2.gz VALKLWZXXJMTIH-LBPRGKRZSA-N 0 1 305.805 4.295 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2ccccc2F)c(Cl)c1 ZINC001473952019 1061493970 /nfs/dbraw/zinc/49/39/70/1061493970.db2.gz JRXLUZOJGQBFPG-GFCCVEGCSA-N 0 1 307.796 4.214 20 10 DICDMN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC001474037261 1061579219 /nfs/dbraw/zinc/57/92/19/1061579219.db2.gz BXWAHYWRUBGRQC-WSNITJDQSA-N 0 1 316.395 4.395 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H](c2cccnc2)C(C)C)c(Cl)c1 ZINC001474040082 1061586930 /nfs/dbraw/zinc/58/69/30/1061586930.db2.gz QIPAWXGHVBUJRE-HNNXBMFYSA-N 0 1 318.848 4.278 20 10 DICDMN Cc1cc(O)c(CNc2cc3c(cn2)CCCC3)c(Cl)c1 ZINC001474159263 1061701896 /nfs/dbraw/zinc/70/18/96/1061701896.db2.gz IOPKEJFBORAPRV-UHFFFAOYSA-N 0 1 302.805 4.240 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)c(Cl)c1 ZINC001474200778 1061753171 /nfs/dbraw/zinc/75/31/71/1061753171.db2.gz RTHLTXAWGBGWFA-ZIAGYGMSSA-N 0 1 306.208 4.148 20 10 DICDMN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474321154 1061896382 /nfs/dbraw/zinc/89/63/82/1061896382.db2.gz ZVUVSYTUOYHQJE-LSDHHAIUSA-N 0 1 311.853 4.071 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC001474330187 1061920288 /nfs/dbraw/zinc/92/02/88/1061920288.db2.gz LOYAFRJBTXYITI-UHFFFAOYSA-N 0 1 307.743 4.210 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC001474330187 1061920307 /nfs/dbraw/zinc/92/03/07/1061920307.db2.gz LOYAFRJBTXYITI-UHFFFAOYSA-N 0 1 307.743 4.210 20 10 DICDMN CC1(C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1c1ccccc1 ZINC001474341117 1061940552 /nfs/dbraw/zinc/94/05/52/1061940552.db2.gz KPEAEOARRPGOOA-QGZVFWFLSA-N 0 1 303.352 4.254 20 10 DICDMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001474355355 1061969961 /nfs/dbraw/zinc/96/99/61/1061969961.db2.gz KTJIOCISNLCYOD-XJKSGUPXSA-N 0 1 301.817 4.424 20 10 DICDMN CCC[N@H+](Cc1cc(C)cc(Br)c1[O-])CC(C)C ZINC001474374409 1062013628 /nfs/dbraw/zinc/01/36/28/1062013628.db2.gz QYOPIIZBYMQVRC-UHFFFAOYSA-N 0 1 314.267 4.331 20 10 DICDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474424863 1062099219 /nfs/dbraw/zinc/09/92/19/1062099219.db2.gz RZEBTZNPTXMAMS-BLLLJJGKSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474424863 1062099240 /nfs/dbraw/zinc/09/92/40/1062099240.db2.gz RZEBTZNPTXMAMS-BLLLJJGKSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474424863 1062099265 /nfs/dbraw/zinc/09/92/65/1062099265.db2.gz RZEBTZNPTXMAMS-BLLLJJGKSA-N 0 1 302.805 4.024 20 10 DICDMN CCc1c(NCc2ccc(F)c(F)c2O)cnn1CCC(C)C ZINC001474443669 1062121823 /nfs/dbraw/zinc/12/18/23/1062121823.db2.gz ZSPINLQPVFWGPC-UHFFFAOYSA-N 0 1 323.387 4.088 20 10 DICDMN COC[C@H](C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(C)C ZINC001459467349 1062153878 /nfs/dbraw/zinc/15/38/78/1062153878.db2.gz MENGLOXWFDECDE-KRWDZBQOSA-N 0 1 305.462 4.055 20 10 DICDMN COC[C@H](C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(C)C ZINC001459467349 1062153892 /nfs/dbraw/zinc/15/38/92/1062153892.db2.gz MENGLOXWFDECDE-KRWDZBQOSA-N 0 1 305.462 4.055 20 10 DICDMN Cc1cc(O)c(CN2CC[C@](F)(c3ccccc3)C2)cc1Cl ZINC001474475014 1062154611 /nfs/dbraw/zinc/15/46/11/1062154611.db2.gz UVBRQMQOMNTNMP-GOSISDBHSA-N 0 1 319.807 4.425 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001474574066 1062283880 /nfs/dbraw/zinc/28/38/80/1062283880.db2.gz PJMVQQWFHLNHDY-RDJZCZTQSA-N 0 1 317.379 4.439 20 10 DICDMN CC[N@@H+](Cc1occc1C)Cc1ccc(Br)cc1O ZINC001474584529 1062294119 /nfs/dbraw/zinc/29/41/19/1062294119.db2.gz PDZIYVQHYUVAMF-UHFFFAOYSA-N 0 1 324.218 4.078 20 10 DICDMN CC[N@H+](Cc1occc1C)Cc1ccc(Br)cc1[O-] ZINC001474584529 1062294136 /nfs/dbraw/zinc/29/41/36/1062294136.db2.gz PDZIYVQHYUVAMF-UHFFFAOYSA-N 0 1 324.218 4.078 20 10 DICDMN CC[N@@H+](Cc1occc1C)Cc1ccc(Br)cc1[O-] ZINC001474584529 1062294153 /nfs/dbraw/zinc/29/41/53/1062294153.db2.gz PDZIYVQHYUVAMF-UHFFFAOYSA-N 0 1 324.218 4.078 20 10 DICDMN C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001474608575 1062321367 /nfs/dbraw/zinc/32/13/67/1062321367.db2.gz GWJFJDNNJULDOV-GFCCVEGCSA-N 0 1 307.796 4.296 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCc2ccc(F)cc21 ZINC001474607987 1062321451 /nfs/dbraw/zinc/32/14/51/1062321451.db2.gz IGOHQQODYKPEFO-GFCCVEGCSA-N 0 1 319.807 4.347 20 10 DICDMN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC001474608810 1062322620 /nfs/dbraw/zinc/32/26/20/1062322620.db2.gz JUYABYCVRZWZFT-GJZGRUSLSA-N 0 1 311.853 4.117 20 10 DICDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC2(CCCC2)O1 ZINC001474614223 1062331760 /nfs/dbraw/zinc/33/17/60/1062331760.db2.gz PNDSKDIWYKLBDF-HNNXBMFYSA-N 0 1 311.425 4.079 20 10 DICDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC2(CCCC2)O1 ZINC001474614223 1062331785 /nfs/dbraw/zinc/33/17/85/1062331785.db2.gz PNDSKDIWYKLBDF-HNNXBMFYSA-N 0 1 311.425 4.079 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c1[O-] ZINC001459790406 1062402839 /nfs/dbraw/zinc/40/28/39/1062402839.db2.gz DNENQBFYKHLYKV-IAGOWNOFSA-N 0 1 321.436 4.428 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@@H]1c2ccccc2CC[C@@H]1F ZINC001474680216 1062410589 /nfs/dbraw/zinc/41/05/89/1062410589.db2.gz VGUXPAVQYLEZKW-VQTJNVASSA-N 0 1 312.432 4.176 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@@H]1c2ccccc2CC[C@H]1F ZINC001474680218 1062410623 /nfs/dbraw/zinc/41/06/23/1062410623.db2.gz VGUXPAVQYLEZKW-WOJBJXKFSA-N 0 1 312.432 4.176 20 10 DICDMN Cc1ccc(SC[C@@H](C)[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001255769952 1062593273 /nfs/dbraw/zinc/59/32/73/1062593273.db2.gz JLVINFDLQZZCGA-OAHLLOKOSA-N 0 1 313.466 4.240 20 10 DICDMN COc1ccc(CNC2(c3ccccc3Cl)CC2)cc1C ZINC001460291653 1062761638 /nfs/dbraw/zinc/76/16/38/1062761638.db2.gz KSYKBRQQEGEWCW-UHFFFAOYSA-N 0 1 301.817 4.436 20 10 DICDMN CCN1CCCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256966047 1063060839 /nfs/dbraw/zinc/06/08/39/1063060839.db2.gz RLIJPOPSYBAXJP-KRWDZBQOSA-N 0 1 322.412 4.074 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCO[C@@H]2CCCC[C@H]2C)c(Cl)c1 ZINC001461053839 1063222669 /nfs/dbraw/zinc/22/26/69/1063222669.db2.gz PITWCFYQFLMSHJ-CXAGYDPISA-N 0 1 311.853 4.039 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2OC(C)C)c(Cl)c1 ZINC001461088942 1063243476 /nfs/dbraw/zinc/24/34/76/1063243476.db2.gz VOPKJLVGLWRWRB-UHFFFAOYSA-N 0 1 319.832 4.431 20 10 DICDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1F ZINC001461270848 1063380502 /nfs/dbraw/zinc/38/05/02/1063380502.db2.gz ZHYZEWWRBSNTFM-GFCCVEGCSA-N 0 1 323.795 4.132 20 10 DICDMN CSc1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC001461370629 1063453096 /nfs/dbraw/zinc/45/30/96/1063453096.db2.gz YAWSVXJUWNLETP-UHFFFAOYSA-N 0 1 315.225 4.428 20 10 DICDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])Cc2ccccc21 ZINC001461872530 1063762926 /nfs/dbraw/zinc/76/29/26/1063762926.db2.gz 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/nfs/dbraw/zinc/88/17/59/1063881759.db2.gz AXQARBDQMCFTOD-UHFFFAOYSA-N 0 1 311.759 4.264 20 10 DICDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCc2ccccc21 ZINC001462018052 1063881874 /nfs/dbraw/zinc/88/18/74/1063881874.db2.gz CLNGXVRKCXREBV-MRXNPFEDSA-N 0 1 303.352 4.180 20 10 DICDMN CCOc1ccc(C[N@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC001462028251 1063888934 /nfs/dbraw/zinc/88/89/34/1063888934.db2.gz MDTWTTANXSWKDH-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN CCOc1ccc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])cc1 ZINC001462028251 1063888949 /nfs/dbraw/zinc/88/89/49/1063888949.db2.gz MDTWTTANXSWKDH-UHFFFAOYSA-N 0 1 319.832 4.385 20 10 DICDMN CN(C)c1cc(F)c(CN[C@@H]2CCCc3sccc32)cc1F ZINC001261814280 1063946322 /nfs/dbraw/zinc/94/63/22/1063946322.db2.gz WNFVPHNUXKBMCI-OAHLLOKOSA-N 0 1 322.424 4.260 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000388371999 1064106802 /nfs/dbraw/zinc/10/68/02/1064106802.db2.gz LGDSFOFXDSDLKK-MRVPVSSYSA-N 0 1 314.134 4.083 20 10 DICDMN CC[C@@H]1C[C@H]1C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001307496911 1065442538 /nfs/dbraw/zinc/44/25/38/1065442538.db2.gz QEPPWNSIKPJMIU-NEPJUHHUSA-N 0 1 312.251 4.023 20 10 DICDMN CC[C@@H]1C[C@H]1C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001307496911 1065442534 /nfs/dbraw/zinc/44/25/34/1065442534.db2.gz QEPPWNSIKPJMIU-NEPJUHHUSA-N 0 1 312.251 4.023 20 10 DICDMN CCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001307563244 1065484108 /nfs/dbraw/zinc/48/41/08/1065484108.db2.gz KLGJADSDQHUAGX-ZDUSSCGKSA-N 0 1 309.837 4.260 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1[O-] ZINC001307613187 1065517376 /nfs/dbraw/zinc/51/73/76/1065517376.db2.gz JMBBOKSLFNQJOB-LBPRGKRZSA-N 0 1 321.848 4.260 20 10 DICDMN Fc1ccc(C2CC2)cc1CNCc1ccc2c(c1)CCCO2 ZINC001308416361 1065973485 /nfs/dbraw/zinc/97/34/85/1065973485.db2.gz KSBFUVKTUMSPCH-UHFFFAOYSA-N 0 1 311.400 4.318 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001308421866 1065978784 /nfs/dbraw/zinc/97/87/84/1065978784.db2.gz ZMAIMPOIYAVFFS-INIZCTEOSA-N 0 1 305.780 4.352 20 10 DICDMN CCSc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC001308502556 1066032185 /nfs/dbraw/zinc/03/21/85/1066032185.db2.gz UXCFZIFSSLPGAN-UHFFFAOYSA-N 0 1 307.846 4.447 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCC2(F)F)c(Cl)c1 ZINC001308502508 1066032204 /nfs/dbraw/zinc/03/22/04/1066032204.db2.gz SSKJAMMUSXSKJW-NSHDSACASA-N 0 1 303.780 4.269 20 10 DICDMN CCS[C@H]1CCCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001308566988 1066076817 /nfs/dbraw/zinc/07/68/17/1066076817.db2.gz HGSXVSKXFJXMCT-ZDUSSCGKSA-N 0 1 313.894 4.462 20 10 DICDMN CCS[C@H]1CCCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001308566988 1066076826 /nfs/dbraw/zinc/07/68/26/1066076826.db2.gz HGSXVSKXFJXMCT-ZDUSSCGKSA-N 0 1 313.894 4.462 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001308581025 1066095894 /nfs/dbraw/zinc/09/58/94/1066095894.db2.gz DRYFLDFCIXPJIY-UHFFFAOYSA-N 0 1 305.368 4.329 20 10 DICDMN CCC[N@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCc2ccccc2C1 ZINC001308592086 1066105659 /nfs/dbraw/zinc/10/56/59/1066105659.db2.gz WXWVZYWQZFJEJF-HXUWFJFHSA-N 0 1 309.453 4.470 20 10 DICDMN CCC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCc2ccccc2C1 ZINC001308592086 1066105665 /nfs/dbraw/zinc/10/56/65/1066105665.db2.gz WXWVZYWQZFJEJF-HXUWFJFHSA-N 0 1 309.453 4.470 20 10 DICDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC001308660542 1066141657 /nfs/dbraw/zinc/14/16/57/1066141657.db2.gz JXDRNHSKYSNYKE-LLVKDONJSA-N 0 1 323.795 4.386 20 10 DICDMN Cc1cccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1F ZINC001308661935 1066144041 /nfs/dbraw/zinc/14/40/41/1066144041.db2.gz FDLUSNMAUBMPKU-UHFFFAOYSA-N 0 1 312.432 4.365 20 10 DICDMN CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001308667538 1066145929 /nfs/dbraw/zinc/14/59/29/1066145929.db2.gz DHVDLXHEPRNTBE-QZTJIDSGSA-N 0 1 313.441 4.227 20 10 DICDMN CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC001308667540 1066146011 /nfs/dbraw/zinc/14/60/11/1066146011.db2.gz DHVDLXHEPRNTBE-ZWKOTPCHSA-N 0 1 313.441 4.227 20 10 DICDMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001308686932 1066181380 /nfs/dbraw/zinc/18/13/80/1066181380.db2.gz RFPPRYWNQPOBLS-RAXLEYEMSA-N 0 1 303.352 4.206 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1Cl ZINC001308782748 1066258202 /nfs/dbraw/zinc/25/82/02/1066258202.db2.gz QHUVHZISMFZNLP-ZDUSSCGKSA-N 0 1 319.807 4.483 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1Cl ZINC001308782748 1066258213 /nfs/dbraw/zinc/25/82/13/1066258213.db2.gz QHUVHZISMFZNLP-ZDUSSCGKSA-N 0 1 319.807 4.483 20 10 DICDMN CCc1cccc(CN2CCCn3c(cc4ccccc43)C2)c1O ZINC001308791836 1066268030 /nfs/dbraw/zinc/26/80/30/1066268030.db2.gz HZVMBCGUQVDNQU-UHFFFAOYSA-N 0 1 320.436 4.315 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)Cc2ccccc2N(C)C)cc1Cl ZINC001308795806 1066270727 /nfs/dbraw/zinc/27/07/27/1066270727.db2.gz WLIMJSPIVJZZDA-UHFFFAOYSA-N 0 1 318.848 4.052 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)Cc2ccccc2N(C)C)cc1Cl ZINC001308795806 1066270734 /nfs/dbraw/zinc/27/07/34/1066270734.db2.gz WLIMJSPIVJZZDA-UHFFFAOYSA-N 0 1 318.848 4.052 20 10 DICDMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308822923 1066298746 /nfs/dbraw/zinc/29/87/46/1066298746.db2.gz JCHKUUIPZBKBIU-OAHLLOKOSA-N 0 1 317.379 4.439 20 10 DICDMN CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001308846777 1066322994 /nfs/dbraw/zinc/32/29/94/1066322994.db2.gz VQCSZCHTOWXAMC-KRWDZBQOSA-N 0 1 303.833 4.465 20 10 DICDMN Cc1cc(O)c(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927759 1066402648 /nfs/dbraw/zinc/40/26/48/1066402648.db2.gz KCUUWCBJHITZQJ-ZDUSSCGKSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927759 1066402654 /nfs/dbraw/zinc/40/26/54/1066402654.db2.gz KCUUWCBJHITZQJ-ZDUSSCGKSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(Cl)c1 ZINC001308927759 1066402657 /nfs/dbraw/zinc/40/26/57/1066402657.db2.gz KCUUWCBJHITZQJ-ZDUSSCGKSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1csc([C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC001308928634 1066403545 /nfs/dbraw/zinc/40/35/45/1066403545.db2.gz QOTSDCPYRIFXPP-LBPRGKRZSA-N 0 1 322.861 4.108 20 10 DICDMN Cc1csc([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001308928634 1066403548 /nfs/dbraw/zinc/40/35/48/1066403548.db2.gz QOTSDCPYRIFXPP-LBPRGKRZSA-N 0 1 322.861 4.108 20 10 DICDMN Cc1csc([C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001308928634 1066403551 /nfs/dbraw/zinc/40/35/51/1066403551.db2.gz QOTSDCPYRIFXPP-LBPRGKRZSA-N 0 1 322.861 4.108 20 10 DICDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCC=CCCC1 ZINC001308974492 1066427438 /nfs/dbraw/zinc/42/74/38/1066427438.db2.gz IMQVLZFDEAVQRJ-ZDUSSCGKSA-N 0 1 324.262 4.381 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc2ccccc2c1[O-] ZINC000273516555 130130493 /nfs/dbraw/zinc/13/04/93/130130493.db2.gz SNYGZOFNQIZENX-GOEBONIOSA-N 0 1 311.425 4.298 20 10 DICDMN CO[C@@H](C)c1nc(CN[C@@H](C)c2ccc(C)c(C)c2O)cs1 ZINC000273571662 130139230 /nfs/dbraw/zinc/13/92/30/130139230.db2.gz KVJKCTCRMWWQMJ-STQMWFEESA-N 0 1 320.458 4.024 20 10 DICDMN CCc1ccc([C@H](COC)N[C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000273581518 130140866 /nfs/dbraw/zinc/14/08/66/130140866.db2.gz MSVFVMSTSCEVDJ-PBHICJAKSA-N 0 1 317.429 4.203 20 10 DICDMN Cc1ccc([C@H](C)N[C@H](C)c2c(F)cncc2F)c(O)c1C ZINC000285540116 131178241 /nfs/dbraw/zinc/17/82/41/131178241.db2.gz DEPGWXNBLHGGKU-NWDGAFQWSA-N 0 1 306.356 4.094 20 10 DICDMN Cc1ccnc([C@H](C)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000286034477 131216799 /nfs/dbraw/zinc/21/67/99/131216799.db2.gz KGYJQVWAIBIQEE-SFHVURJKSA-N 0 1 323.484 4.477 20 10 DICDMN Cc1ccc(-c2nc(CN[C@@H]3CCc4cccc(O)c43)co2)cc1 ZINC000297887929 132038767 /nfs/dbraw/zinc/03/87/67/132038767.db2.gz VLLGOLXXIXYNQF-QGZVFWFLSA-N 0 1 320.392 4.133 20 10 DICDMN Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000184872253 333367730 /nfs/dbraw/zinc/36/77/30/333367730.db2.gz TYMYSQKJUGIOFV-MRXNPFEDSA-N 0 1 323.440 4.100 20 10 DICDMN CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])o1 ZINC000291836633 333791024 /nfs/dbraw/zinc/79/10/24/333791024.db2.gz FQFLNRIJRXOLJH-LBPRGKRZSA-N 0 1 310.397 4.255 20 10 DICDMN COc1ccc(O)c([C@H](C)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000192791292 336261964 /nfs/dbraw/zinc/26/19/64/336261964.db2.gz UGYPITVEXSZTAB-XOBRGWDASA-N 0 1 323.392 4.434 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1cc(F)c(F)c(F)c1 ZINC000475201254 339441355 /nfs/dbraw/zinc/44/13/55/339441355.db2.gz HNNJQBCLUXZMIA-UHFFFAOYSA-N 0 1 318.342 4.194 20 10 DICDMN CCOc1cccc(CN[C@@H](c2ccco2)c2ccccc2)c1O ZINC000236933599 340666550 /nfs/dbraw/zinc/66/65/50/340666550.db2.gz GATOCCVCNHLSKO-LJQANCHMSA-N 0 1 323.392 4.263 20 10 DICDMN C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc2ccccc2c1[O-] ZINC000185772768 525612341 /nfs/dbraw/zinc/61/23/41/525612341.db2.gz IDDHLXYSBYOVMV-NUDXDXSLSA-N 0 1 311.425 4.154 20 10 DICDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000180154251 526750238 /nfs/dbraw/zinc/75/02/38/526750238.db2.gz GGBCJPDGOCFCRS-JTQLQIEISA-N 0 1 310.850 4.312 20 10 DICDMN Cc1noc(C)c1CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153903659 1035601682 /nfs/dbraw/zinc/60/16/82/1035601682.db2.gz QXPXNMLMHZHFHA-CQSZACIVSA-N 0 1 313.445 4.133 20 10 DICDMN CCN(CC)c1ccc(CNCc2cccc(C)c2F)cc1 ZINC001648832747 1036612223 /nfs/dbraw/zinc/61/22/23/1036612223.db2.gz KJIBVNVLUNWTMW-UHFFFAOYSA-N 0 1 300.421 4.270 20 10 DICDMN CN1CCCc2cc(CNCc3ccccc3Cl)ccc21 ZINC000050266805 1037175545 /nfs/dbraw/zinc/17/55/45/1037175545.db2.gz PEKOFCXBBPIYDC-UHFFFAOYSA-N 0 1 300.833 4.012 20 10 DICDMN CCCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167434181 1037294149 /nfs/dbraw/zinc/29/41/49/1037294149.db2.gz DZPORFNWRNOACG-UHFFFAOYSA-N 0 1 323.484 4.003 20 10 DICDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1cccs1 ZINC000706809549 1037451969 /nfs/dbraw/zinc/45/19/69/1037451969.db2.gz DSQJYSPDFVOAFK-SECBINFHSA-N 0 1 312.232 4.067 20 10 DICDMN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706833832 1037480947 /nfs/dbraw/zinc/48/09/47/1037480947.db2.gz JUXMGXHDJTXPCB-NEPJUHHUSA-N 0 1 312.251 4.071 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001140464714 1038128361 /nfs/dbraw/zinc/12/83/61/1038128361.db2.gz AMNKBIIPHCYMTB-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001140464714 1038128368 /nfs/dbraw/zinc/12/83/68/1038128368.db2.gz AMNKBIIPHCYMTB-CYBMUJFWSA-N 0 1 305.780 4.174 20 10 DICDMN C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)cc2cccnc21 ZINC000171937189 1038514338 /nfs/dbraw/zinc/51/43/38/1038514338.db2.gz JFVGOVGONDDKKJ-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN CC[C@](C)([NH2+]Cc1cc(Cl)ccc1[O-])c1nc(C)cs1 ZINC000174503873 1038952657 /nfs/dbraw/zinc/95/26/57/1038952657.db2.gz YFBJQCCBIXWCFS-HNNXBMFYSA-N 0 1 310.850 4.226 20 10 DICDMN CC1(C)CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133471 1038953409 /nfs/dbraw/zinc/95/34/09/1038953409.db2.gz JWZFITQJDIWYJR-UHFFFAOYSA-N 0 1 318.642 4.183 20 10 DICDMN C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708134679 1038956495 /nfs/dbraw/zinc/95/64/95/1038956495.db2.gz SMPRXBSWRVNJIM-SECBINFHSA-N 0 1 318.642 4.183 20 10 DICDMN CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000088747607 1039598137 /nfs/dbraw/zinc/59/81/37/1039598137.db2.gz MPMVVCNMLIOWLH-TZMCWYRMSA-N 0 1 310.235 4.304 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccccc2Cl)c1[O-] ZINC000177231382 1040577435 /nfs/dbraw/zinc/57/74/35/1040577435.db2.gz XWZBBGBETLNDKL-SNVBAGLBSA-N 0 1 321.779 4.238 20 10 DICDMN C[C@H](NCc1csc(-c2ccccc2)n1)c1ccccc1O ZINC000179894329 1040610713 /nfs/dbraw/zinc/61/07/13/1040610713.db2.gz KJKOLMDDGLNNMF-ZDUSSCGKSA-N 0 1 310.422 4.367 20 10 DICDMN COC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)c1ccc(C)o1 ZINC000808699920 1041009283 /nfs/dbraw/zinc/00/92/83/1041009283.db2.gz DTBRZXFYURXZQF-WFASDCNBSA-N 0 1 323.820 4.294 20 10 DICDMN Cc1ccc(C)c(C[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000809712843 1041230366 /nfs/dbraw/zinc/23/03/66/1041230366.db2.gz WAMYGYDWNVHBKP-UHFFFAOYSA-N 0 1 320.230 4.061 20 10 DICDMN CCN(CC)c1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000809762973 1041247281 /nfs/dbraw/zinc/24/72/81/1041247281.db2.gz GCUUVCUROAKUMH-UHFFFAOYSA-N 0 1 309.457 4.092 20 10 DICDMN CCC[C@](C)(O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218009 1041337558 /nfs/dbraw/zinc/33/75/58/1041337558.db2.gz NQHKSPZNROBECN-HIFRSBDPSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221515 1041339197 /nfs/dbraw/zinc/33/91/97/1041339197.db2.gz QHPOKBCBLCBBHC-DZGCQCFKSA-N 0 1 319.367 4.123 20 10 DICDMN CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227343 1041341992 /nfs/dbraw/zinc/34/19/92/1041341992.db2.gz VUNOAHDLJDBICP-GXTWGEPZSA-N 0 1 319.367 4.003 20 10 DICDMN Cc1cc([C@H](C)NCCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC000810207322 1041346417 /nfs/dbraw/zinc/34/64/17/1041346417.db2.gz JKJXSKGXASKQPE-INIZCTEOSA-N 0 1 323.440 4.284 20 10 DICDMN Cc1nc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cs1 ZINC000318640997 1041594001 /nfs/dbraw/zinc/59/40/01/1041594001.db2.gz AGSYUTUJMDCHCN-GFCCVEGCSA-N 0 1 312.438 4.204 20 10 DICDMN CC(C)c1nn(C)cc1NCc1cc(Cl)cc(Cl)c1O ZINC000312298290 1041609588 /nfs/dbraw/zinc/60/95/88/1041609588.db2.gz SXJAMMWEJUEVDW-UHFFFAOYSA-N 0 1 314.216 4.168 20 10 DICDMN C[C@H](Nc1cc2c(cn1)CCCC2)c1cc(F)cc(F)c1O ZINC000812739387 1041643349 /nfs/dbraw/zinc/64/33/49/1041643349.db2.gz PUEFIIQCGRZZEY-JTQLQIEISA-N 0 1 304.340 4.117 20 10 DICDMN C/C(=C/C(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813685161 1041726548 /nfs/dbraw/zinc/72/65/48/1041726548.db2.gz CJRNJQDDZKTCOP-CLFYSBASSA-N 0 1 316.228 4.308 20 10 DICDMN CCCc1nc(C)c(CN[C@@H](C)c2cc(Cl)cc(C)c2O)o1 ZINC000813886013 1041742880 /nfs/dbraw/zinc/74/28/80/1041742880.db2.gz SPEWPAGKHKOBCK-NSHDSACASA-N 0 1 322.836 4.454 20 10 DICDMN Cc1csc([C@H](NCc2ccc(N(C)C)c(C)c2)C2CC2)n1 ZINC000815084000 1041912960 /nfs/dbraw/zinc/91/29/60/1041912960.db2.gz MJRGTQQGFIJCGF-QGZVFWFLSA-N 0 1 315.486 4.067 20 10 DICDMN C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(Cl)ccc1[O-] ZINC000756757916 1041982320 /nfs/dbraw/zinc/98/23/20/1041982320.db2.gz OULMZADTJZZVJX-LKFCYVNXSA-N 0 1 324.207 4.483 20 10 DICDMN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-])C(C)(C)O ZINC000815651951 1041986830 /nfs/dbraw/zinc/98/68/30/1041986830.db2.gz JWRGPRXMCFMIJF-GXTWGEPZSA-N 0 1 319.367 4.001 20 10 DICDMN CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccs2)c1O ZINC000748046801 1042025393 /nfs/dbraw/zinc/02/53/93/1042025393.db2.gz PFCTXHOFPLZGSQ-HNNXBMFYSA-N 0 1 319.401 4.133 20 10 DICDMN Oc1cc(F)c(Cl)cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000816516902 1042061371 /nfs/dbraw/zinc/06/13/71/1042061371.db2.gz VYRBBFKQYVXZRY-OAHLLOKOSA-N 0 1 309.743 4.271 20 10 DICDMN CCOc1ccccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816537409 1042062702 /nfs/dbraw/zinc/06/27/02/1042062702.db2.gz DWBXCHJAZJDOPR-UHFFFAOYSA-N 0 1 307.393 4.234 20 10 DICDMN [O-]c1c(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)ccc2ccccc21 ZINC000816551488 1042064280 /nfs/dbraw/zinc/06/42/80/1042064280.db2.gz CWRGNWQKKHDKCD-QUCCMNQESA-N 0 1 303.405 4.266 20 10 DICDMN [O-]c1c(C[NH2+]CCc2cccc(F)c2F)ccc2ccccc21 ZINC000816549793 1042064668 /nfs/dbraw/zinc/06/46/68/1042064668.db2.gz YHNZONZMSSVALD-UHFFFAOYSA-N 0 1 313.347 4.156 20 10 DICDMN CS[C@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816549953 1042064793 /nfs/dbraw/zinc/06/47/93/1042064793.db2.gz DBVBYKOMCYRIFO-HOTGVXAUSA-N 0 1 301.455 4.309 20 10 DICDMN C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559172 1042066934 /nfs/dbraw/zinc/06/69/34/1042066934.db2.gz ALAWLMFLVDSMPU-MGPUTAFESA-N 0 1 321.420 4.147 20 10 DICDMN CC(C)OC1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816558199 1042067167 /nfs/dbraw/zinc/06/71/67/1042067167.db2.gz QGIWLYKUTWISKF-UHFFFAOYSA-N 0 1 313.441 4.371 20 10 DICDMN CC(C)[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])c1cccnc1 ZINC000816555500 1042067335 /nfs/dbraw/zinc/06/73/35/1042067335.db2.gz HJEYDSAEILGQSB-HXUWFJFHSA-N 0 1 320.436 4.470 20 10 DICDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])[C@H]1CCCCO1 ZINC000816556426 1042067731 /nfs/dbraw/zinc/06/77/31/1042067731.db2.gz IRVXLZAIANXSGD-GOSISDBHSA-N 0 1 313.441 4.230 20 10 DICDMN COc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)c1O ZINC000816630416 1042070435 /nfs/dbraw/zinc/07/04/35/1042070435.db2.gz DCOTVFRMSGCOAZ-IBGZPJMESA-N 0 1 309.409 4.128 20 10 DICDMN COc1cccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)c1O ZINC000816630417 1042070698 /nfs/dbraw/zinc/07/06/98/1042070698.db2.gz DCOTVFRMSGCOAZ-LJQANCHMSA-N 0 1 309.409 4.128 20 10 DICDMN [O-]c1c(C[NH+]2CCC(c3ccncc3)CC2)ccc2ccccc21 ZINC000816610716 1042073139 /nfs/dbraw/zinc/07/31/39/1042073139.db2.gz VREIEDSHTJKRMQ-UHFFFAOYSA-N 0 1 318.420 4.320 20 10 DICDMN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608787 1042073731 /nfs/dbraw/zinc/07/37/31/1042073731.db2.gz JOOGWWKMFIIWLZ-MAUKXSAKSA-N 0 1 313.441 4.061 20 10 DICDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816608787 1042073737 /nfs/dbraw/zinc/07/37/37/1042073737.db2.gz JOOGWWKMFIIWLZ-MAUKXSAKSA-N 0 1 313.441 4.061 20 10 DICDMN CCc1nocc1CN(C)Cc1cc(-c2ccccc2)ccc1O ZINC000816652868 1042076487 /nfs/dbraw/zinc/07/64/87/1042076487.db2.gz XGDCEZCTLIMXFM-UHFFFAOYSA-N 0 1 322.408 4.242 20 10 DICDMN CN(Cc1cc(Cl)cc(F)c1O)Cc1c(F)cccc1F ZINC000816652011 1042076553 /nfs/dbraw/zinc/07/65/53/1042076553.db2.gz WVLREESAIZSFKU-UHFFFAOYSA-N 0 1 315.722 4.095 20 10 DICDMN C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(Cl)ccc1[O-] ZINC000817974510 1042134738 /nfs/dbraw/zinc/13/47/38/1042134738.db2.gz BJTRWAKJUYTQKW-GFCCVEGCSA-N 0 1 316.832 4.255 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1cc(Cl)ccc1[O-] ZINC000817981515 1042136056 /nfs/dbraw/zinc/13/60/56/1042136056.db2.gz SPFDITOEIIEWMP-INIZCTEOSA-N 0 1 304.821 4.177 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCn1ccc2ccccc21 ZINC000317468890 1042228031 /nfs/dbraw/zinc/22/80/31/1042228031.db2.gz XFELEJCDGRUJLW-UHFFFAOYSA-N 0 1 314.816 4.180 20 10 DICDMN Oc1ccccc1CN(Cc1cc(F)ncc1F)C1CCCC1 ZINC000823448436 1042326596 /nfs/dbraw/zinc/32/65/96/1042326596.db2.gz WMHZYDVVIAFVAD-UHFFFAOYSA-N 0 1 318.367 4.010 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C)o2)cc1F ZINC000236932003 1042414325 /nfs/dbraw/zinc/41/43/25/1042414325.db2.gz VXSIIAPDVUAGEW-AWEZNQCLSA-N 0 1 304.409 4.424 20 10 DICDMN CC[C@@H](N[C@@H](COC)c1ccc(C)o1)c1ccc(C)cc1O ZINC000280036720 1042561565 /nfs/dbraw/zinc/56/15/65/1042561565.db2.gz IMYJIWDEJJAPND-CVEARBPZSA-N 0 1 303.402 4.030 20 10 DICDMN CC[C@@H](NCc1csc([C@@H](C)OC)n1)c1ccc(C)cc1O ZINC000280097791 1042564481 /nfs/dbraw/zinc/56/44/81/1042564481.db2.gz MXGVRZGPDLORME-IUODEOHRSA-N 0 1 320.458 4.105 20 10 DICDMN Cc1ccc(O)c([C@@H](C)NCc2c(F)cc(F)c(F)c2F)c1 ZINC000280754444 1042580080 /nfs/dbraw/zinc/58/00/80/1042580080.db2.gz BZWOTIRZYFCGSG-SECBINFHSA-N 0 1 313.294 4.108 20 10 DICDMN COc1ccccc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000017310942 1042912102 /nfs/dbraw/zinc/91/21/02/1042912102.db2.gz ZOZVFIDWBAZUBW-UHFFFAOYSA-N 0 1 320.436 4.393 20 10 DICDMN c1[nH]nc2cc(NCc3ccc(N4CCCCC4)cc3)ccc12 ZINC000319933935 1042961831 /nfs/dbraw/zinc/96/18/31/1042961831.db2.gz ROQSUIOETSHZQU-UHFFFAOYSA-N 0 1 306.413 4.165 20 10 DICDMN Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729468316 1042975124 /nfs/dbraw/zinc/97/51/24/1042975124.db2.gz CDJKRIQREKXAKV-INIZCTEOSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729468316 1042975125 /nfs/dbraw/zinc/97/51/25/1042975125.db2.gz CDJKRIQREKXAKV-INIZCTEOSA-N 0 1 322.383 4.069 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729468316 1042975127 /nfs/dbraw/zinc/97/51/27/1042975127.db2.gz CDJKRIQREKXAKV-INIZCTEOSA-N 0 1 322.383 4.069 20 10 DICDMN CC[C@@H](NCc1nc(C)c2ccccc2n1)c1ccc(C)cc1O ZINC000794803441 1043050915 /nfs/dbraw/zinc/05/09/15/1043050915.db2.gz IZACRRNJJGIEQI-QGZVFWFLSA-N 0 1 321.424 4.193 20 10 DICDMN CC[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(C)cc1O ZINC000794818648 1043064309 /nfs/dbraw/zinc/06/43/09/1043064309.db2.gz RZBSUMUJCPZDSW-SFHVURJKSA-N 0 1 316.420 4.465 20 10 DICDMN C[C@@H](NCc1ccoc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178474624 1043131709 /nfs/dbraw/zinc/13/17/09/1043131709.db2.gz VRCLLYZJYPEMCW-CQSZACIVSA-N 0 1 302.393 4.260 20 10 DICDMN CC(C)COC[C@@H](N[C@H](C)c1ccccc1O)c1ccco1 ZINC000183478145 1043164572 /nfs/dbraw/zinc/16/45/72/1043164572.db2.gz SUMAFZPANPLDSR-GDBMZVCRSA-N 0 1 303.402 4.050 20 10 DICDMN CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000185046002 1043195442 /nfs/dbraw/zinc/19/54/42/1043195442.db2.gz SHLOVMFHVOTINE-GFCCVEGCSA-N 0 1 320.820 4.079 20 10 DICDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000185149623 1043197257 /nfs/dbraw/zinc/19/72/57/1043197257.db2.gz GJDNMHONKAVWLU-GHMZBOCLSA-N 0 1 320.776 4.366 20 10 DICDMN CC(C)COC[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccco1 ZINC000185289462 1043198765 /nfs/dbraw/zinc/19/87/65/1043198765.db2.gz WDGHPQQIMQDJNJ-CJNGLKHVSA-N 0 1 321.392 4.189 20 10 DICDMN CCc1cnc(CN[C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000185584568 1043204179 /nfs/dbraw/zinc/20/41/79/1043204179.db2.gz NHJRHEUBORONFG-GFCCVEGCSA-N 0 1 316.470 4.141 20 10 DICDMN CCc1cnc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000185584549 1043205400 /nfs/dbraw/zinc/20/54/00/1043205400.db2.gz NHJRHEUBORONFG-LBPRGKRZSA-N 0 1 316.470 4.141 20 10 DICDMN CCC(CC)c1cc(CN[C@@H](C)c2cc(C)ccc2O)on1 ZINC000185561752 1043205632 /nfs/dbraw/zinc/20/56/32/1043205632.db2.gz GGZHMQOKJBIEGU-ZDUSSCGKSA-N 0 1 302.418 4.443 20 10 DICDMN CC(C)c1csc(CN[C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000185807768 1043207705 /nfs/dbraw/zinc/20/77/05/1043207705.db2.gz ZTNHMWSHFRXLML-JTQLQIEISA-N 0 1 310.850 4.476 20 10 DICDMN Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000866541084 1043221174 /nfs/dbraw/zinc/22/11/74/1043221174.db2.gz VXPSHPJHWJLJIH-NSHDSACASA-N 0 1 320.776 4.113 20 10 DICDMN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000186561664 1043229694 /nfs/dbraw/zinc/22/96/94/1043229694.db2.gz ZHUHQUQXBURPBK-ONGXEEELSA-N 0 1 310.850 4.265 20 10 DICDMN COc1cccc(F)c1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000122425363 1043303597 /nfs/dbraw/zinc/30/35/97/1043303597.db2.gz SSIWXQKHGAIZNS-ZIAGYGMSSA-N 0 1 316.420 4.312 20 10 DICDMN COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000122425164 1043304164 /nfs/dbraw/zinc/30/41/64/1043304164.db2.gz SSIWXQKHGAIZNS-UONOGXRCSA-N 0 1 316.420 4.312 20 10 DICDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cccnc1Cl ZINC000268811133 1043334266 /nfs/dbraw/zinc/33/42/66/1043334266.db2.gz KSFYQOGOAPTVGS-AWEZNQCLSA-N 0 1 315.848 4.186 20 10 DICDMN CCn1ncc(N[C@H](C)c2ccc(Cl)c(Cl)c2O)c1C ZINC000872136076 1043477309 /nfs/dbraw/zinc/47/73/09/1043477309.db2.gz CBSGQIBXOIXZRY-MRVPVSSYSA-N 0 1 314.216 4.397 20 10 DICDMN C[N@@H+](CCC(C)(C)C)Cc1c([O-])cccc1Br ZINC000707133695 1043564621 /nfs/dbraw/zinc/56/46/21/1043564621.db2.gz ZGVYITZQMHIGPX-UHFFFAOYSA-N 0 1 300.240 4.023 20 10 DICDMN C[N@H+](CCC(C)(C)C)Cc1c([O-])cccc1Br ZINC000707133695 1043564608 /nfs/dbraw/zinc/56/46/08/1043564608.db2.gz ZGVYITZQMHIGPX-UHFFFAOYSA-N 0 1 300.240 4.023 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(Cl)cc1[O-] ZINC000927062766 1043678207 /nfs/dbraw/zinc/67/82/07/1043678207.db2.gz PANAKLUUWULAPI-IAQYHMDHSA-N 0 1 302.805 4.169 20 10 DICDMN C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc2ccccc2c1[O-] ZINC000927101781 1043687441 /nfs/dbraw/zinc/68/74/41/1043687441.db2.gz OJNNPIXPKWWZSE-CYBMUJFWSA-N 0 1 321.424 4.007 20 10 DICDMN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825934046 1043743934 /nfs/dbraw/zinc/74/39/34/1043743934.db2.gz FWBWPIMMYCJAFS-INIZCTEOSA-N 0 1 304.821 4.332 20 10 DICDMN CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825934046 1043743948 /nfs/dbraw/zinc/74/39/48/1043743948.db2.gz FWBWPIMMYCJAFS-INIZCTEOSA-N 0 1 304.821 4.332 20 10 DICDMN CC(C)CCc1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000879651645 1043979349 /nfs/dbraw/zinc/97/93/49/1043979349.db2.gz FJPRWCHJKLQFRQ-ZDUSSCGKSA-N 0 1 304.459 4.288 20 10 DICDMN O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000035978123 1044020765 /nfs/dbraw/zinc/02/07/65/1044020765.db2.gz HVKVOVWZMCOROM-UHFFFAOYSA-N 0 1 313.140 4.219 20 10 DICDMN CC[C@@H](NCc1ccc(C)nc1Cl)c1ccc(N(C)C)cc1 ZINC000883301804 1044263588 /nfs/dbraw/zinc/26/35/88/1044263588.db2.gz IMSLYIQGZAUQRP-QGZVFWFLSA-N 0 1 317.864 4.350 20 10 DICDMN COc1cccc([C@H](C)N[C@@H]2c3ccccc3CC[C@H]2F)c1O ZINC000883377847 1044293412 /nfs/dbraw/zinc/29/34/12/1044293412.db2.gz SADVDVGJNYXPOD-BJOOFOGMSA-N 0 1 315.388 4.077 20 10 DICDMN Cc1c2ccccc2n(C)c1CNCc1cc(F)c(F)cc1F ZINC000475197194 1044319568 /nfs/dbraw/zinc/31/95/68/1044319568.db2.gz LUAOQGGXVWPQBJ-UHFFFAOYSA-N 0 1 318.342 4.194 20 10 DICDMN CC[C@](C)(NCc1ccc(N(C)C)c(C)c1)c1nc(C)cs1 ZINC000293894248 1044349535 /nfs/dbraw/zinc/34/95/35/1044349535.db2.gz VKEGZEDRFPODQM-SFHVURJKSA-N 0 1 317.502 4.241 20 10 DICDMN CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1CC1 ZINC000840858846 1044395698 /nfs/dbraw/zinc/39/56/98/1044395698.db2.gz HBQXUMSLFJBKMJ-MNVSYLFESA-N 0 1 313.441 4.400 20 10 DICDMN CO[C@H](C)c1nc(CN[C@H](C)c2c(C)cc(C)cc2O)cs1 ZINC000294821899 1044464012 /nfs/dbraw/zinc/46/40/12/1044464012.db2.gz QMLXQFOOVVAMBZ-CHWSQXEVSA-N 0 1 320.458 4.024 20 10 DICDMN CCC(CC)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000121146455 1044521714 /nfs/dbraw/zinc/52/17/14/1044521714.db2.gz BOVOPWZAFDUGFH-AWEZNQCLSA-N 0 1 315.461 4.495 20 10 DICDMN CC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(Cl)c1[O-] ZINC000368575886 1044783001 /nfs/dbraw/zinc/78/30/01/1044783001.db2.gz PBEWXXJGMUCLCD-MQBCKMQZSA-N 0 1 322.880 4.103 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc2ccccc2c1[O-] ZINC000156318455 1044789641 /nfs/dbraw/zinc/78/96/41/1044789641.db2.gz HZFQHYAWYQNPHN-DZGCQCFKSA-N 0 1 301.455 4.482 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc2ccccc2c1[O-] ZINC000156318322 1044790925 /nfs/dbraw/zinc/79/09/25/1044790925.db2.gz HZFQHYAWYQNPHN-HIFRSBDPSA-N 0 1 301.455 4.482 20 10 DICDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1O ZINC000778986026 1045104957 /nfs/dbraw/zinc/10/49/57/1045104957.db2.gz YVDUGNWEQTXNBH-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN CC[C@@H](NCc1ccc(N(CC)CC)cc1)c1ccc(F)cn1 ZINC000779021816 1045147145 /nfs/dbraw/zinc/14/71/45/1045147145.db2.gz XWKXQMGLXPEFLH-GOSISDBHSA-N 0 1 315.436 4.308 20 10 DICDMN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ccns1 ZINC000925010212 1045219658 /nfs/dbraw/zinc/21/96/58/1045219658.db2.gz FDLHYAUNPKGYAD-HNNXBMFYSA-N 0 1 315.486 4.230 20 10 DICDMN CC[C@@H](N[C@@H](C)c1ncccc1F)c1cc(Cl)ccc1O ZINC000528035653 1045295623 /nfs/dbraw/zinc/29/56/23/1045295623.db2.gz JGKVJQWSXOSSKN-IINYFYTJSA-N 0 1 308.784 4.382 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1cc(Cl)ccc1[O-] ZINC000528035653 1045295627 /nfs/dbraw/zinc/29/56/27/1045295627.db2.gz JGKVJQWSXOSSKN-IINYFYTJSA-N 0 1 308.784 4.382 20 10 DICDMN COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000188796024 1045339446 /nfs/dbraw/zinc/33/94/46/1045339446.db2.gz UPDCFVVZQQTGEB-KBPBESRZSA-N 0 1 322.408 4.361 20 10 DICDMN COc1cccc(F)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC001120363709 1045538190 /nfs/dbraw/zinc/53/81/90/1045538190.db2.gz IKJULMGRDFQARU-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cc(Cl)ccc1[O-] ZINC000800987423 1045678317 /nfs/dbraw/zinc/67/83/17/1045678317.db2.gz XSRVYGACWORHHP-IUODEOHRSA-N 0 1 317.816 4.090 20 10 DICDMN CCCCN(Cc1nc2ccccc2[nH]1)Cc1ccccc1O ZINC000801599241 1045751579 /nfs/dbraw/zinc/75/15/79/1045751579.db2.gz GRWRLTNFOMZZEG-UHFFFAOYSA-N 0 1 309.413 4.071 20 10 DICDMN CN(Cc1ccoc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753535227 1045758469 /nfs/dbraw/zinc/75/84/69/1045758469.db2.gz JEBABAMTKIDMJS-UHFFFAOYSA-N 0 1 323.392 4.196 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2cccs2)c1[O-] ZINC000754825439 1045929620 /nfs/dbraw/zinc/92/96/20/1045929620.db2.gz OLPJCBSCFHVGSK-UHFFFAOYSA-N 0 1 323.845 4.335 20 10 DICDMN CC(=O)[C@H]1CCCCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859307 1045987647 /nfs/dbraw/zinc/98/76/47/1045987647.db2.gz SGSJGWFHESISBL-HXUWFJFHSA-N 0 1 310.441 4.038 20 10 DICDMN CCC[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001644709890 1046041155 /nfs/dbraw/zinc/04/11/55/1046041155.db2.gz AAUFIRCHEHRWTB-LLVKDONJSA-N 0 1 300.240 4.165 20 10 DICDMN CCC[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001644709890 1046041165 /nfs/dbraw/zinc/04/11/65/1046041165.db2.gz AAUFIRCHEHRWTB-LLVKDONJSA-N 0 1 300.240 4.165 20 10 DICDMN CCC[C@H](C)[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001644709891 1046041407 /nfs/dbraw/zinc/04/14/07/1046041407.db2.gz AAUFIRCHEHRWTB-NSHDSACASA-N 0 1 300.240 4.165 20 10 DICDMN CCC[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001644709891 1046041417 /nfs/dbraw/zinc/04/14/17/1046041417.db2.gz AAUFIRCHEHRWTB-NSHDSACASA-N 0 1 300.240 4.165 20 10 DICDMN CN(Cc1ccccc1O)Cc1cccc(C(F)(F)F)c1F ZINC001138011769 1046054875 /nfs/dbraw/zinc/05/48/75/1046054875.db2.gz HKDOGSSBTSPZKR-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000193701122 1046060375 /nfs/dbraw/zinc/06/03/75/1046060375.db2.gz YEZODUSXYTUKPO-ZDUSSCGKSA-N 0 1 322.364 4.304 20 10 DICDMN C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756369251 1046071493 /nfs/dbraw/zinc/07/14/93/1046071493.db2.gz BBZRPBURJPVIBV-XHDPSFHLSA-N 0 1 324.877 4.061 20 10 DICDMN C[C@H]([NH2+]CCCOc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000756365242 1046072310 /nfs/dbraw/zinc/07/23/10/1046072310.db2.gz OIBOAWVTOVTFAG-ZDUSSCGKSA-N 0 1 305.805 4.165 20 10 DICDMN C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000756419464 1046078256 /nfs/dbraw/zinc/07/82/56/1046078256.db2.gz UQPHAYIFUHABKS-HOTGVXAUSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000756440749 1046080441 /nfs/dbraw/zinc/08/04/41/1046080441.db2.gz GTFVWINQHXGNLV-BLLLJJGKSA-N 0 1 321.852 4.008 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc2ccccc2c1[O-] ZINC000756514942 1046093700 /nfs/dbraw/zinc/09/37/00/1046093700.db2.gz KOQNTVOBOIAKKA-CQSZACIVSA-N 0 1 319.404 4.331 20 10 DICDMN Cc1csc([C@H](C)N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000756533264 1046095916 /nfs/dbraw/zinc/09/59/16/1046095916.db2.gz DDKCHCKCZDIDGV-QRTLGDNMSA-N 0 1 306.406 4.195 20 10 DICDMN C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000756534876 1046096343 /nfs/dbraw/zinc/09/63/43/1046096343.db2.gz LIEFZHHEBTZQCH-KUHUBIRLSA-N 0 1 313.441 4.137 20 10 DICDMN CC(C)c1cc(CN[C@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000756570874 1046099714 /nfs/dbraw/zinc/09/97/14/1046099714.db2.gz GJOMJWXGUHLRLL-CYBMUJFWSA-N 0 1 314.429 4.233 20 10 DICDMN CC(C)c1cc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000756570880 1046100914 /nfs/dbraw/zinc/10/09/14/1046100914.db2.gz GJOMJWXGUHLRLL-ZDUSSCGKSA-N 0 1 314.429 4.233 20 10 DICDMN CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001138131173 1046105879 /nfs/dbraw/zinc/10/58/79/1046105879.db2.gz SEKXJEZNMWBCDI-QGZVFWFLSA-N 0 1 315.388 4.015 20 10 DICDMN CC(C)n1ccc(CN[C@H](C)c2ccc3ccccc3c2O)n1 ZINC000756596011 1046106188 /nfs/dbraw/zinc/10/61/88/1046106188.db2.gz XMKVVRJFWQLUGG-CQSZACIVSA-N 0 1 309.413 4.174 20 10 DICDMN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C12CCC2 ZINC000756613489 1046110607 /nfs/dbraw/zinc/11/06/07/1046110607.db2.gz PSDNCXLINMSJHP-IUIKQTSFSA-N 0 1 309.837 4.044 20 10 DICDMN Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000756635025 1046114064 /nfs/dbraw/zinc/11/40/64/1046114064.db2.gz DFMBPPDIDCEPPF-MGPUTAFESA-N 0 1 321.420 4.238 20 10 DICDMN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CCO1 ZINC000756663506 1046117622 /nfs/dbraw/zinc/11/76/22/1046117622.db2.gz JWHFBAJKMUNNDO-ZSZQSSIHSA-N 0 1 313.441 4.400 20 10 DICDMN COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756682156 1046120460 /nfs/dbraw/zinc/12/04/60/1046120460.db2.gz NICLULJOKFKMFG-ZDUSSCGKSA-N 0 1 317.404 4.168 20 10 DICDMN C[C@@H]([NH2+]CCc1cccc(F)c1F)c1cc(Cl)ccc1[O-] ZINC000756713529 1046121569 /nfs/dbraw/zinc/12/15/69/1046121569.db2.gz VISQJEQKYYPISV-SNVBAGLBSA-N 0 1 311.759 4.217 20 10 DICDMN Cc1c(CN2CCCC(F)(F)[C@@H](F)C2)c2ccccc2n1C ZINC001138252428 1046128868 /nfs/dbraw/zinc/12/88/68/1046128868.db2.gz HDNOHFYMFPIMME-INIZCTEOSA-N 0 1 310.363 4.056 20 10 DICDMN CC(C)OC1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756770346 1046129826 /nfs/dbraw/zinc/12/98/26/1046129826.db2.gz TZIGKPNUJSMOCR-WLIAPVHPSA-N 0 1 321.436 4.405 20 10 DICDMN CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756786129 1046133121 /nfs/dbraw/zinc/13/31/21/1046133121.db2.gz JPPBUZRHKOVJIG-NEPJUHHUSA-N 0 1 304.821 4.415 20 10 DICDMN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000756785058 1046133345 /nfs/dbraw/zinc/13/33/45/1046133345.db2.gz RWEBTLXDNGDBKW-DIFFPNOSSA-N 0 1 302.805 4.243 20 10 DICDMN COc1ccc(C2([NH2+][C@H](C)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000756821074 1046140975 /nfs/dbraw/zinc/14/09/75/1046140975.db2.gz LHRDHNRUBHBQOS-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN COc1cccc(C2([NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)c1 ZINC000756845028 1046142610 /nfs/dbraw/zinc/14/26/10/1046142610.db2.gz QJPMAFGUDIFTLI-LBPRGKRZSA-N 0 1 317.816 4.394 20 10 DICDMN Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756857477 1046145782 /nfs/dbraw/zinc/14/57/82/1046145782.db2.gz JYKWALSYJLXNEG-GFCCVEGCSA-N 0 1 320.383 4.214 20 10 DICDMN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000756873744 1046147811 /nfs/dbraw/zinc/14/78/11/1046147811.db2.gz JKKBQHWYWLTMFZ-AEGPPILISA-N 0 1 311.853 4.290 20 10 DICDMN COC1CCC(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000757680206 1046200973 /nfs/dbraw/zinc/20/09/73/1046200973.db2.gz NORZWPARCONTGY-DNOWBOINSA-N 0 1 311.853 4.292 20 10 DICDMN Cc1cc(CNCc2cncs2)c(C)n1-c1cccc(C)c1 ZINC000758015973 1046238656 /nfs/dbraw/zinc/23/86/56/1046238656.db2.gz OODDDZFFOYONES-UHFFFAOYSA-N 0 1 311.454 4.149 20 10 DICDMN CN(Cc1c(Cl)[nH]c2ccccc21)Cc1ccccc1O ZINC001138688365 1046270346 /nfs/dbraw/zinc/27/03/46/1046270346.db2.gz BVIZLSRUIWTBNU-UHFFFAOYSA-N 0 1 300.789 4.159 20 10 DICDMN CC(C)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000758507870 1046275931 /nfs/dbraw/zinc/27/59/31/1046275931.db2.gz MLALAUSCSDEESY-IBGZPJMESA-N 0 1 317.379 4.387 20 10 DICDMN C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001168189605 1046340831 /nfs/dbraw/zinc/34/08/31/1046340831.db2.gz SVYYPNIDLRKBDS-CYBMUJFWSA-N 0 1 301.817 4.035 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000781898558 1046484510 /nfs/dbraw/zinc/48/45/10/1046484510.db2.gz ZMIFBROXNJWSHQ-LLVKDONJSA-N 0 1 324.218 4.249 20 10 DICDMN C[N@@H+](Cc1cccc2ccccc21)Cc1c(F)ccc(F)c1[O-] ZINC001139682709 1046498701 /nfs/dbraw/zinc/49/87/01/1046498701.db2.gz AVMFPNUMZZVQAE-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139681411 1046498754 /nfs/dbraw/zinc/49/87/54/1046498754.db2.gz QHUSKRDWKVLPOP-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139684128 1046500003 /nfs/dbraw/zinc/50/00/03/1046500003.db2.gz HPMJRHDYLKDBAQ-UHFFFAOYSA-N 0 1 305.368 4.471 20 10 DICDMN CCC[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1O ZINC000092705064 1046557525 /nfs/dbraw/zinc/55/75/25/1046557525.db2.gz AKEOJXODOXUOPH-UHFFFAOYSA-N 0 1 302.443 4.138 20 10 DICDMN CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC001140055322 1046576863 /nfs/dbraw/zinc/57/68/63/1046576863.db2.gz RDNJKFHUXBSJQF-SFHVURJKSA-N 0 1 315.388 4.267 20 10 DICDMN Oc1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001140057409 1046579406 /nfs/dbraw/zinc/57/94/06/1046579406.db2.gz GNPMGMIUEHRMBN-UHFFFAOYSA-N 0 1 317.791 4.474 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc2c(c1)COC2 ZINC000092854941 1046581078 /nfs/dbraw/zinc/58/10/78/1046581078.db2.gz MZQLGKFHRWPGFD-UHFFFAOYSA-N 0 1 310.180 4.341 20 10 DICDMN CCC(CC)c1cc(CN[C@@H]2CCc3cccc(O)c32)on1 ZINC000834602100 1046636392 /nfs/dbraw/zinc/63/63/92/1046636392.db2.gz JIJDBYJRURVCFA-OAHLLOKOSA-N 0 1 300.402 4.061 20 10 DICDMN Cc1c(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC000841754020 1046637326 /nfs/dbraw/zinc/63/73/26/1046637326.db2.gz YQFBUZQPFICUPC-LLVKDONJSA-N 0 1 320.776 4.113 20 10 DICDMN COc1cccc(CCC[N@H+](C)Cc2c([O-])cccc2Cl)c1 ZINC001140341739 1046668330 /nfs/dbraw/zinc/66/83/30/1046668330.db2.gz FQHANIGEPWYOFH-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1cccc(CCC[N@@H+](C)Cc2c([O-])cccc2Cl)c1 ZINC001140341739 1046668338 /nfs/dbraw/zinc/66/83/38/1046668338.db2.gz FQHANIGEPWYOFH-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001140341678 1046668378 /nfs/dbraw/zinc/66/83/78/1046668378.db2.gz BNQVPQFKAMDDNJ-UHFFFAOYSA-N 0 1 317.816 4.131 20 10 DICDMN C[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(N2CCCCCC2)cc1 ZINC000834834670 1046680001 /nfs/dbraw/zinc/68/00/01/1046680001.db2.gz DWVJRXWMDGQWID-VQIMIIECSA-N 0 1 324.472 4.059 20 10 DICDMN CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841762971 1046697265 /nfs/dbraw/zinc/69/72/65/1046697265.db2.gz LBHMKRJONVARIC-NWDGAFQWSA-N 0 1 307.825 4.235 20 10 DICDMN CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000834885354 1046698257 /nfs/dbraw/zinc/69/82/57/1046698257.db2.gz IVTAOUOPWKRKAR-DCGLDWPTSA-N 0 1 311.853 4.147 20 10 DICDMN CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000834885048 1046698661 /nfs/dbraw/zinc/69/86/61/1046698661.db2.gz GCDVVXSDFQYCSO-RMRKRWHISA-N 0 1 321.436 4.120 20 10 DICDMN CC(C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000834885050 1046698744 /nfs/dbraw/zinc/69/87/44/1046698744.db2.gz GCDVVXSDFQYCSO-RPCCPQHDSA-N 0 1 321.436 4.120 20 10 DICDMN C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000834901830 1046712530 /nfs/dbraw/zinc/71/25/30/1046712530.db2.gz DCNXEFYNGPPIQY-OIKLOGQESA-N 0 1 319.779 4.247 20 10 DICDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000834908627 1046717270 /nfs/dbraw/zinc/71/72/70/1046717270.db2.gz GTVXEOMJUMBOLU-QWHCGFSZSA-N 0 1 311.853 4.210 20 10 DICDMN C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000834911117 1046719082 /nfs/dbraw/zinc/71/90/82/1046719082.db2.gz RSOHKPVWDJOOED-HUUCEWRRSA-N 0 1 313.441 4.401 20 10 DICDMN CCC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000834915256 1046721530 /nfs/dbraw/zinc/72/15/30/1046721530.db2.gz PKOJVDJQJQTHET-UHFFFAOYSA-N 0 1 306.409 4.353 20 10 DICDMN CCC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000834915256 1046721544 /nfs/dbraw/zinc/72/15/44/1046721544.db2.gz PKOJVDJQJQTHET-UHFFFAOYSA-N 0 1 306.409 4.353 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140466494 1046737219 /nfs/dbraw/zinc/73/72/19/1046737219.db2.gz HMNBQBONFSFZJJ-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001140466494 1046737232 /nfs/dbraw/zinc/73/72/32/1046737232.db2.gz HMNBQBONFSFZJJ-HNNXBMFYSA-N 0 1 301.817 4.110 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)Cc2ccccc21 ZINC000835024264 1046744722 /nfs/dbraw/zinc/74/47/22/1046744722.db2.gz ISBHVFCVFOCPTO-CQSZACIVSA-N 0 1 304.393 4.060 20 10 DICDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc21 ZINC000835024264 1046744733 /nfs/dbraw/zinc/74/47/33/1046744733.db2.gz ISBHVFCVFOCPTO-CQSZACIVSA-N 0 1 304.393 4.060 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)Cc2ccccc21 ZINC000835024264 1046744749 /nfs/dbraw/zinc/74/47/49/1046744749.db2.gz ISBHVFCVFOCPTO-CQSZACIVSA-N 0 1 304.393 4.060 20 10 DICDMN Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000797058470 1046781467 /nfs/dbraw/zinc/78/14/67/1046781467.db2.gz FMEPOAPFWDXSLS-FHSNZYRGSA-N 0 1 319.832 4.127 20 10 DICDMN CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000797071752 1046787022 /nfs/dbraw/zinc/78/70/22/1046787022.db2.gz VDNMSCHQYCSCFQ-LLVKDONJSA-N 0 1 307.743 4.429 20 10 DICDMN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1c(F)cncc1F ZINC000797125198 1046793263 /nfs/dbraw/zinc/79/32/63/1046793263.db2.gz IKDJNCGXHCXTAY-KKFJDGPESA-N 0 1 322.330 4.104 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([O-])cc(F)cc2F)c1 ZINC001140582381 1046793087 /nfs/dbraw/zinc/79/30/87/1046793087.db2.gz HCRNSFFNORZBRQ-KRWDZBQOSA-N 0 1 303.352 4.316 20 10 DICDMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140580311 1046793809 /nfs/dbraw/zinc/79/38/09/1046793809.db2.gz WSJOOGQJUPZWGP-UHFFFAOYSA-N 0 1 305.368 4.471 20 10 DICDMN Cc1ccc(O)c(CN2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC001140622866 1046816112 /nfs/dbraw/zinc/81/61/12/1046816112.db2.gz CLJWHRYQCUVYJZ-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cc(C)ccc1O ZINC001140623692 1046818832 /nfs/dbraw/zinc/81/88/32/1046818832.db2.gz PXYWMWLLYQPXNO-SFHVURJKSA-N 0 1 311.425 4.184 20 10 DICDMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000237372447 1046875409 /nfs/dbraw/zinc/87/54/09/1046875409.db2.gz OIUYJSHVWHPCEU-KDOFPFPSSA-N 0 1 310.441 4.075 20 10 DICDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001140822682 1046916881 /nfs/dbraw/zinc/91/68/81/1046916881.db2.gz DQJQUCMSOBFZBN-UHFFFAOYSA-N 0 1 318.848 4.047 20 10 DICDMN Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(C)cc3O)C2)cc1 ZINC001140949382 1046958850 /nfs/dbraw/zinc/95/88/50/1046958850.db2.gz ANMDNUUJAYYQHL-IBGZPJMESA-N 0 1 311.425 4.052 20 10 DICDMN Cc1ccc(CN2CCc3ccc(C(F)(F)F)cc3C2)c(O)c1 ZINC001140950871 1046959486 /nfs/dbraw/zinc/95/94/86/1046959486.db2.gz MFYFXLYUMXDCOU-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139684504 1047082916 /nfs/dbraw/zinc/08/29/16/1047082916.db2.gz XJOZWVAXZAEEJI-MRXNPFEDSA-N 0 1 319.351 4.016 20 10 DICDMN C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cc(Cl)ccc1[O-] ZINC001116445517 1047142020 /nfs/dbraw/zinc/14/20/20/1047142020.db2.gz SVSOZYOBANELKY-UHFFFAOYSA-N 0 1 300.789 4.159 20 10 DICDMN C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cc(Cl)ccc1[O-] ZINC001116445517 1047142022 /nfs/dbraw/zinc/14/20/22/1047142022.db2.gz SVSOZYOBANELKY-UHFFFAOYSA-N 0 1 300.789 4.159 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc2ccccc2c1[O-] ZINC001116565391 1047155978 /nfs/dbraw/zinc/15/59/78/1047155978.db2.gz QUZYJHVAVZPLLM-GDIGMMSISA-N 0 1 312.457 4.069 20 10 DICDMN Cc1cccc(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000827919421 1047235210 /nfs/dbraw/zinc/23/52/10/1047235210.db2.gz JBUUAPMNZWAKHB-UHFFFAOYSA-N 0 1 310.441 4.083 20 10 DICDMN Cc1cccc(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000827919421 1047235221 /nfs/dbraw/zinc/23/52/21/1047235221.db2.gz JBUUAPMNZWAKHB-UHFFFAOYSA-N 0 1 310.441 4.083 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000840140706 1047288031 /nfs/dbraw/zinc/28/80/31/1047288031.db2.gz SJPZHPFBTLNJCD-LJQANCHMSA-N 0 1 320.392 4.261 20 10 DICDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000840140706 1047288043 /nfs/dbraw/zinc/28/80/43/1047288043.db2.gz SJPZHPFBTLNJCD-LJQANCHMSA-N 0 1 320.392 4.261 20 10 DICDMN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N1CCCCC1 ZINC000390933132 1047301637 /nfs/dbraw/zinc/30/16/37/1047301637.db2.gz MWKPSOHDDMJIEG-HZPDHXFCSA-N 0 1 312.457 4.070 20 10 DICDMN COc1ccccc1CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000392310670 1047307960 /nfs/dbraw/zinc/30/79/60/1047307960.db2.gz NCCJDOIVVUCUBO-OAHLLOKOSA-N 0 1 321.420 4.447 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001142527108 1047310267 /nfs/dbraw/zinc/31/02/67/1047310267.db2.gz KTYMJMQLVVONPQ-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001142527124 1047310532 /nfs/dbraw/zinc/31/05/32/1047310532.db2.gz LLRRYOWPKZVKKS-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC000898068950 1047315972 /nfs/dbraw/zinc/31/59/72/1047315972.db2.gz SEURYPASIMUARE-AWEZNQCLSA-N 0 1 324.449 4.067 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)ccc2ccccc21 ZINC000898068950 1047315989 /nfs/dbraw/zinc/31/59/89/1047315989.db2.gz SEURYPASIMUARE-AWEZNQCLSA-N 0 1 324.449 4.067 20 10 DICDMN C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc2ccccc2c1[O-] ZINC000840874994 1047351528 /nfs/dbraw/zinc/35/15/28/1047351528.db2.gz BTBWEHJEUHBNIF-AWEZNQCLSA-N 0 1 313.441 4.401 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000840942146 1047362247 /nfs/dbraw/zinc/36/22/47/1047362247.db2.gz UGRFAMMCHLRTFE-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000840942146 1047362256 /nfs/dbraw/zinc/36/22/56/1047362256.db2.gz UGRFAMMCHLRTFE-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cnc([C@@H](C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840939837 1047362647 /nfs/dbraw/zinc/36/26/47/1047362647.db2.gz RPOHYOZHOKLETJ-JTQLQIEISA-N 0 1 310.850 4.012 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(c3ccncc3)CC2)c(Cl)c1 ZINC000840946098 1047364157 /nfs/dbraw/zinc/36/41/57/1047364157.db2.gz IOKLJETWGOVMTO-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC(c3cccnc3)CC2)c(Cl)c1 ZINC000840949334 1047364203 /nfs/dbraw/zinc/36/42/03/1047364203.db2.gz WMCNWXTXJOZDDR-UHFFFAOYSA-N 0 1 316.832 4.129 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)CCCN3)c(Cl)c1 ZINC000841069905 1047378468 /nfs/dbraw/zinc/37/84/68/1047378468.db2.gz HFMFREGJFMAZNH-UHFFFAOYSA-N 0 1 316.832 4.002 20 10 DICDMN CCOCc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841744380 1047446822 /nfs/dbraw/zinc/44/68/22/1047446822.db2.gz HHCPJGIITXLOFI-CYBMUJFWSA-N 0 1 319.832 4.433 20 10 DICDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841744488 1047446984 /nfs/dbraw/zinc/44/69/84/1047446984.db2.gz HYWOCFKLFIQXJM-YVEFUNNKSA-N 0 1 305.805 4.084 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000841747093 1047448609 /nfs/dbraw/zinc/44/86/09/1047448609.db2.gz NQKZTZGWIZKRPT-LLVKDONJSA-N 0 1 322.811 4.102 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Cl)cc1[O-] ZINC000841748002 1047448926 /nfs/dbraw/zinc/44/89/26/1047448926.db2.gz VHKVRHVEXOMMJN-ZUZCIYMTSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000841750878 1047450484 /nfs/dbraw/zinc/45/04/84/1047450484.db2.gz KAXHMYJPMZWAIR-MNOVXSKESA-N 0 1 320.776 4.366 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(Cl)cc1[O-] ZINC000841753749 1047451774 /nfs/dbraw/zinc/45/17/74/1047451774.db2.gz VPQZRFYZXIAAFY-BMIGLBTASA-N 0 1 321.779 4.359 20 10 DICDMN COCC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccc(C)o1 ZINC000841753835 1047452188 /nfs/dbraw/zinc/45/21/88/1047452188.db2.gz NQZUHZXAWPACLP-WFASDCNBSA-N 0 1 323.820 4.375 20 10 DICDMN C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1[O-] ZINC000841758026 1047453442 /nfs/dbraw/zinc/45/34/42/1047453442.db2.gz RDMXPUHQTOQBHV-PRHODGIISA-N 0 1 308.636 4.280 20 10 DICDMN CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756792 1047453479 /nfs/dbraw/zinc/45/34/79/1047453479.db2.gz CHWUBHUUGBVLMH-JTQLQIEISA-N 0 1 308.809 4.009 20 10 DICDMN COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759722 1047454606 /nfs/dbraw/zinc/45/46/06/1047454606.db2.gz POKIRADTPNAZET-LBPRGKRZSA-N 0 1 305.805 4.213 20 10 DICDMN COc1ccc(O)c([C@@H](C)NC2(c3ccccc3Cl)CC2)c1 ZINC000842886010 1047511342 /nfs/dbraw/zinc/51/13/42/1047511342.db2.gz GDSXZRNPUNBGAA-GFCCVEGCSA-N 0 1 317.816 4.394 20 10 DICDMN Nc1ccc(N(c2ccc(N)cc2)c2ccc3cn[nH]c3c2)cc1 ZINC001174501576 1047871059 /nfs/dbraw/zinc/87/10/59/1047871059.db2.gz ZUPIDJUQTLHYFR-UHFFFAOYSA-N 0 1 315.380 4.197 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)ccc2ccccc21 ZINC001183157046 1047904293 /nfs/dbraw/zinc/90/42/93/1047904293.db2.gz QQDVFBFWMSTJEE-QGZVFWFLSA-N 0 1 319.404 4.241 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)ccc2ccccc21 ZINC001183157046 1047904296 /nfs/dbraw/zinc/90/42/96/1047904296.db2.gz QQDVFBFWMSTJEE-QGZVFWFLSA-N 0 1 319.404 4.241 20 10 DICDMN C[C@@H](NCc1cccc(F)c1Cl)c1ccc(N(C)C)cc1 ZINC000775830154 1047933849 /nfs/dbraw/zinc/93/38/49/1047933849.db2.gz DUSLULKZTMTUCQ-GFCCVEGCSA-N 0 1 306.812 4.396 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)cc1Cl ZINC001183674140 1047955066 /nfs/dbraw/zinc/95/50/66/1047955066.db2.gz VMKBFCGZLGHJRK-CYBMUJFWSA-N 0 1 301.817 4.473 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2Cc3ccccc3[C@H](C)C2)cc1Cl ZINC001183674140 1047955082 /nfs/dbraw/zinc/95/50/82/1047955082.db2.gz VMKBFCGZLGHJRK-CYBMUJFWSA-N 0 1 301.817 4.473 20 10 DICDMN Oc1cc2ccccc2cc1CNc1ccc2c(n1)CCCC2 ZINC001160206956 1047997365 /nfs/dbraw/zinc/99/73/65/1047997365.db2.gz PBWAMYJZZCFBRI-UHFFFAOYSA-N 0 1 304.393 4.431 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013768 1048090232 /nfs/dbraw/zinc/09/02/32/1048090232.db2.gz OFOWCYOZAOIYDA-BXKDBHETSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000776013768 1048090246 /nfs/dbraw/zinc/09/02/46/1048090246.db2.gz OFOWCYOZAOIYDA-BXKDBHETSA-N 0 1 307.743 4.208 20 10 DICDMN C[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1ccccc1O ZINC001175419506 1048301004 /nfs/dbraw/zinc/30/10/04/1048301004.db2.gz WEILOMZOXZRZRL-KGLIPLIRSA-N 0 1 308.381 4.459 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC001203664258 1048409130 /nfs/dbraw/zinc/40/91/30/1048409130.db2.gz UQIMALLGOOTVOK-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])cn1 ZINC001203664258 1048409134 /nfs/dbraw/zinc/40/91/34/1048409134.db2.gz UQIMALLGOOTVOK-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN Cc1ccc(-c2nc(CN[C@H](C)c3ccccc3O)co2)cc1 ZINC000775135028 1048423049 /nfs/dbraw/zinc/42/30/49/1048423049.db2.gz BURLNMXZLHLADX-CQSZACIVSA-N 0 1 308.381 4.206 20 10 DICDMN CCC1(CC)CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001175897678 1048478032 /nfs/dbraw/zinc/47/80/32/1048478032.db2.gz AOIQSJFRKHUTCT-UHFFFAOYSA-N 0 1 309.837 4.403 20 10 DICDMN Cc1cc(CN2CC3(C2)CC(F)(F)C3)c(C)n1-c1ccccc1 ZINC001137854202 1048569080 /nfs/dbraw/zinc/56/90/80/1048569080.db2.gz MNCKFONTHUOEEH-UHFFFAOYSA-N 0 1 316.395 4.325 20 10 DICDMN COc1ccccc1[C@H](NCc1ccccc1O)c1ccccc1 ZINC000108421431 1048599959 /nfs/dbraw/zinc/59/99/59/1048599959.db2.gz BQXLYWUGLGVTHZ-OAQYLSRUSA-N 0 1 319.404 4.280 20 10 DICDMN CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000850536622 1048684961 /nfs/dbraw/zinc/68/49/61/1048684961.db2.gz MBIROYQUQDXMNC-WCQYABFASA-N 0 1 323.305 4.497 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(Cl)ccc1[O-] ZINC000850543078 1048687043 /nfs/dbraw/zinc/68/70/43/1048687043.db2.gz XZPJESPLFRHQTD-DLBZAZTESA-N 0 1 317.816 4.479 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC001206707384 1048709502 /nfs/dbraw/zinc/70/95/02/1048709502.db2.gz HLPPUJHXBITCQU-KRWDZBQOSA-N 0 1 302.805 4.072 20 10 DICDMN CCN(CCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC001177136189 1048838535 /nfs/dbraw/zinc/83/85/35/1048838535.db2.gz HWIYDVVFTMVLTJ-UHFFFAOYSA-N 0 1 318.848 4.052 20 10 DICDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203580630 1048935818 /nfs/dbraw/zinc/93/58/18/1048935818.db2.gz UMAMMUDGRPVTHI-ZDUSSCGKSA-N 0 1 318.244 4.088 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001203580892 1048935755 /nfs/dbraw/zinc/93/57/55/1048935755.db2.gz WKTPXPHMDSHXDK-QMMMGPOBSA-N 0 1 310.171 4.176 20 10 DICDMN COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203581001 1048935814 /nfs/dbraw/zinc/93/58/14/1048935814.db2.gz YDPMJWULRUOWCA-CYBMUJFWSA-N 0 1 318.244 4.090 20 10 DICDMN COc1cccc(CN2CCC[C@@H]2c2cc(F)ccc2F)c1O ZINC001203595537 1048937591 /nfs/dbraw/zinc/93/75/91/1048937591.db2.gz HOUBDFKCHLIUMR-MRXNPFEDSA-N 0 1 319.351 4.016 20 10 DICDMN CCOc1cccc(CN2CCc3ccc(Cl)cc3C2)c1O ZINC001203602455 1048939813 /nfs/dbraw/zinc/93/98/13/1048939813.db2.gz XXJPFUJZSIUPPS-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[O-] ZINC000775483115 1049002248 /nfs/dbraw/zinc/00/22/48/1049002248.db2.gz LHBMUVPOWRWFKP-CQSZACIVSA-N 0 1 319.788 4.015 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(COC)cc1)c1cc(Cl)ccc1[O-] ZINC000775487679 1049008537 /nfs/dbraw/zinc/00/85/37/1049008537.db2.gz NDGDLJYASFRGAQ-QGZVFWFLSA-N 0 1 319.832 4.433 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc(Cl)ccc1[O-] ZINC000775491033 1049012527 /nfs/dbraw/zinc/01/25/27/1049012527.db2.gz XYOUWOCMFCCPHP-YVEFUNNKSA-N 0 1 319.832 4.340 20 10 DICDMN CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000775491141 1049014173 /nfs/dbraw/zinc/01/41/73/1049014173.db2.gz YVGZWWIOLRCNEP-MRXNPFEDSA-N 0 1 305.805 4.035 20 10 DICDMN CC[C@H]([NH2+]CCc1nc(C)cs1)c1cc(Cl)ccc1[O-] ZINC000775492050 1049017824 /nfs/dbraw/zinc/01/78/24/1049017824.db2.gz KXRIGRKBKOIISW-ZDUSSCGKSA-N 0 1 310.850 4.094 20 10 DICDMN CC[C@@H]([NH2+]CCc1csc(C)n1)c1cc(Cl)ccc1[O-] ZINC000775492808 1049021770 /nfs/dbraw/zinc/02/17/70/1049021770.db2.gz SLFXXCIDIZFBKH-CQSZACIVSA-N 0 1 310.850 4.094 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccoc1C)c1cc(Br)ccc1[O-] ZINC000775496730 1049031803 /nfs/dbraw/zinc/03/18/03/1049031803.db2.gz JWNBYQDUACOSON-CQSZACIVSA-N 0 1 324.218 4.297 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(Cl)ccc1[O-] ZINC000775499904 1049034543 /nfs/dbraw/zinc/03/45/43/1049034543.db2.gz GXAHIOYKLUUCQQ-INIZCTEOSA-N 0 1 317.816 4.221 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ccc(N(C)C)cc1 ZINC001203937136 1049035655 /nfs/dbraw/zinc/03/56/55/1049035655.db2.gz MGUIMHIOOXCWEZ-FQEVSTJZSA-N 0 1 324.468 4.236 20 10 DICDMN CC[C@@H]([NH2+][C@H](C)Cc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000775513340 1049050087 /nfs/dbraw/zinc/05/00/87/1049050087.db2.gz XKRCSLWXSVIHMD-MLGOLLRUSA-N 0 1 304.821 4.113 20 10 DICDMN CC[C@@H]([NH2+][C@@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1[O-] ZINC000775511093 1049054702 /nfs/dbraw/zinc/05/47/02/1049054702.db2.gz BEJOUNSZZWLXKD-CABCVRRESA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@@H](N[C@@H](COC)c1ccc(C)o1)c1cc(Cl)ccc1O ZINC000775511093 1049054714 /nfs/dbraw/zinc/05/47/14/1049054714.db2.gz BEJOUNSZZWLXKD-CABCVRRESA-N 0 1 323.820 4.375 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](C)c1c(C)noc1C)c1cc(Cl)ccc1[O-] ZINC000775523523 1049087149 /nfs/dbraw/zinc/08/71/49/1049087149.db2.gz JQCSCTQNOCKFTG-ZUZCIYMTSA-N 0 1 322.836 4.495 20 10 DICDMN CC[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccccc1O ZINC000775525265 1049088866 /nfs/dbraw/zinc/08/88/66/1049088866.db2.gz FLTOXEWKYHZDIQ-CYBMUJFWSA-N 0 1 313.294 4.190 20 10 DICDMN CC[C@@H]([NH2+][C@H](COC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775524963 1049089015 /nfs/dbraw/zinc/08/90/15/1049089015.db2.gz VGTTVLZKZWQXBB-IAGOWNOFSA-N 0 1 319.832 4.474 20 10 DICDMN CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775524985 1049089224 /nfs/dbraw/zinc/08/92/24/1049089224.db2.gz XEPFMVKUQOPFFZ-ZBFHGGJFSA-N 0 1 313.869 4.129 20 10 DICDMN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(Cl)ccc1[O-] ZINC000775527034 1049093305 /nfs/dbraw/zinc/09/33/05/1049093305.db2.gz VTLHXHMYZWVUQS-GUDXXQAFSA-N 0 1 321.848 4.044 20 10 DICDMN CN(C)c1ccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c2ccccc21 ZINC001204233152 1049116582 /nfs/dbraw/zinc/11/65/82/1049116582.db2.gz OLGVYMBEBPWBLG-RBUKOAKNSA-N 0 1 318.411 4.178 20 10 DICDMN CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000857059437 1049124492 /nfs/dbraw/zinc/12/44/92/1049124492.db2.gz PQSXPFZQLXSJHO-CMPLNLGQSA-N 0 1 323.305 4.497 20 10 DICDMN COc1ccc(F)c(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000857081199 1049126132 /nfs/dbraw/zinc/12/61/32/1049126132.db2.gz NCHYMPQUNYGAGP-SNVBAGLBSA-N 0 1 309.768 4.044 20 10 DICDMN Cc1ccnc(NC/C=C/c2ccc(N(C)C)cc2)c1C1CC1 ZINC001179094720 1049130985 /nfs/dbraw/zinc/13/09/85/1049130985.db2.gz AACDOQZQTQPMAQ-SNAWJCMRSA-N 0 1 307.441 4.459 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1cc(Cl)ccc1[O-] ZINC000775551025 1049142537 /nfs/dbraw/zinc/14/25/37/1049142537.db2.gz GIRYJMNPCIJCGU-ZWNOBZJWSA-N 0 1 310.850 4.347 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1cc(Cl)ccc1[O-] ZINC000775551024 1049143251 /nfs/dbraw/zinc/14/32/51/1049143251.db2.gz GIRYJMNPCIJCGU-MFKMUULPSA-N 0 1 310.850 4.347 20 10 DICDMN CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000775553391 1049148243 /nfs/dbraw/zinc/14/82/43/1049148243.db2.gz BKILLFFXJOXXIF-CGTJXYLNSA-N 0 1 323.864 4.292 20 10 DICDMN Cc1cc(C)cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000857508390 1049165438 /nfs/dbraw/zinc/16/54/38/1049165438.db2.gz QPWUPPJBLXKKIB-UHFFFAOYSA-N 0 1 324.207 4.246 20 10 DICDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001204542904 1049185208 /nfs/dbraw/zinc/18/52/08/1049185208.db2.gz JLJBZWFYJNJVCR-CJNGLKHVSA-N 0 1 301.817 4.424 20 10 DICDMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462625 1049211648 /nfs/dbraw/zinc/21/16/48/1049211648.db2.gz WVTXJOCJBBNUKM-DYVFJYSZSA-N 0 1 307.409 4.135 20 10 DICDMN CN(C)c1cc(F)c(CNCc2ccc(Cl)s2)cc1F ZINC000858092071 1049215400 /nfs/dbraw/zinc/21/54/00/1049215400.db2.gz MRKJIOMUHDTVRD-UHFFFAOYSA-N 0 1 316.804 4.036 20 10 DICDMN CSc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858107260 1049216922 /nfs/dbraw/zinc/21/69/22/1049216922.db2.gz MNDJOQOFTZELEL-UHFFFAOYSA-N 0 1 322.424 4.043 20 10 DICDMN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000192936300 1049220812 /nfs/dbraw/zinc/22/08/12/1049220812.db2.gz UMGWSOGFZIZQPL-HNNXBMFYSA-N 0 1 320.436 4.462 20 10 DICDMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001179937977 1049232683 /nfs/dbraw/zinc/23/26/83/1049232683.db2.gz REJMVIZGOOMWCN-DIFFPNOSSA-N 0 1 321.342 4.393 20 10 DICDMN CC[N@@H+](Cc1ccccc1Cl)Cc1cc(F)c(F)cc1[O-] ZINC001179909432 1049238103 /nfs/dbraw/zinc/23/81/03/1049238103.db2.gz LUPPHTQTHZGEDW-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN Cc1cccc2c1CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC001204755337 1049254546 /nfs/dbraw/zinc/25/45/46/1049254546.db2.gz ALSJPNJFVMOVJM-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN COc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C)c1O ZINC001180094195 1049265870 /nfs/dbraw/zinc/26/58/70/1049265870.db2.gz ZONBZTRAMAJODR-LBPRGKRZSA-N 0 1 317.816 4.001 20 10 DICDMN Cc1cc(CN[C@@H](C)c2cncs2)c(C)n1-c1ccccc1 ZINC000858542528 1049271505 /nfs/dbraw/zinc/27/15/05/1049271505.db2.gz LQDPVXDEBXOGAQ-AWEZNQCLSA-N 0 1 311.454 4.401 20 10 DICDMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001204866642 1049289136 /nfs/dbraw/zinc/28/91/36/1049289136.db2.gz NKTVQUXFCFZTRK-CQSZACIVSA-N 0 1 309.381 4.241 20 10 DICDMN Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204917241 1049309721 /nfs/dbraw/zinc/30/97/21/1049309721.db2.gz YGQXBAQUIOWFIW-AWEZNQCLSA-N 0 1 301.817 4.344 20 10 DICDMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001204917241 1049309731 /nfs/dbraw/zinc/30/97/31/1049309731.db2.gz YGQXBAQUIOWFIW-AWEZNQCLSA-N 0 1 301.817 4.344 20 10 DICDMN CN(C)c1cc(F)c(CN2CCC[C@H]2c2ccccc2)cc1F ZINC001205039262 1049350003 /nfs/dbraw/zinc/35/00/03/1049350003.db2.gz JAPGYFMBAOYKRL-SFHVURJKSA-N 0 1 316.395 4.368 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC001180462644 1049367537 /nfs/dbraw/zinc/36/75/37/1049367537.db2.gz SNXZOFJDWMCKPW-UHFFFAOYSA-N 0 1 319.326 4.099 20 10 DICDMN COCCN(Cc1ccccc1)Cc1c(O)cc(C)cc1Cl ZINC001180497523 1049375354 /nfs/dbraw/zinc/37/53/54/1049375354.db2.gz MHXMYKWKEJHDGF-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN COCC[N@H+](Cc1ccccc1)Cc1c([O-])cc(C)cc1Cl ZINC001180497523 1049375367 /nfs/dbraw/zinc/37/53/67/1049375367.db2.gz MHXMYKWKEJHDGF-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN COCC[N@@H+](Cc1ccccc1)Cc1c([O-])cc(C)cc1Cl ZINC001180497523 1049375380 /nfs/dbraw/zinc/37/53/80/1049375380.db2.gz MHXMYKWKEJHDGF-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN CCc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC001180497890 1049376133 /nfs/dbraw/zinc/37/61/33/1049376133.db2.gz YAVKVMMOYOPVDO-UHFFFAOYSA-N 0 1 307.796 4.379 20 10 DICDMN Cc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001180819814 1049410527 /nfs/dbraw/zinc/41/05/27/1049410527.db2.gz KZFKOYAGADTHLP-HNNXBMFYSA-N 0 1 301.817 4.344 20 10 DICDMN Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001180819814 1049410533 /nfs/dbraw/zinc/41/05/33/1049410533.db2.gz KZFKOYAGADTHLP-HNNXBMFYSA-N 0 1 301.817 4.344 20 10 DICDMN CC(C)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])Cc1ccccc1 ZINC001180997793 1049426351 /nfs/dbraw/zinc/42/63/51/1049426351.db2.gz ZBTKQXJPFNARIJ-MRXNPFEDSA-N 0 1 301.405 4.136 20 10 DICDMN C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001205391153 1049457304 /nfs/dbraw/zinc/45/73/04/1049457304.db2.gz JUBSLIRVKUNXJS-OAHLLOKOSA-N 0 1 319.404 4.329 20 10 DICDMN C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001205391153 1049457307 /nfs/dbraw/zinc/45/73/07/1049457307.db2.gz JUBSLIRVKUNXJS-OAHLLOKOSA-N 0 1 319.404 4.329 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1Cl ZINC001181350741 1049466407 /nfs/dbraw/zinc/46/64/07/1049466407.db2.gz UOCXMOMJNYXVPM-GXSJLCMTSA-N 0 1 307.743 4.127 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1Cl ZINC001181350741 1049466416 /nfs/dbraw/zinc/46/64/16/1049466416.db2.gz UOCXMOMJNYXVPM-GXSJLCMTSA-N 0 1 307.743 4.127 20 10 DICDMN CN(C)c1ccc(/C=C/CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC001205526551 1049491078 /nfs/dbraw/zinc/49/10/78/1049491078.db2.gz ACXGGOXQKZMYDU-IRUYWQDXSA-N 0 1 324.443 4.337 20 10 DICDMN CC(C)c1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC001181687012 1049498387 /nfs/dbraw/zinc/49/83/87/1049498387.db2.gz MGZPTMOWBKAFLT-YJBOKZPZSA-N 0 1 305.462 4.031 20 10 DICDMN CC(C)c1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC001181687009 1049498599 /nfs/dbraw/zinc/49/85/99/1049498599.db2.gz MGZPTMOWBKAFLT-CRAIPNDOSA-N 0 1 305.462 4.031 20 10 DICDMN 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USQPVSRMPNGRCW-JTNHKYCSSA-N 0 1 318.367 4.273 20 10 DICDMN CCCN(Cc1ncc(C(C)C)s1)Cc1ccccc1O ZINC000183026860 1053569971 /nfs/dbraw/zinc/56/99/71/1053569971.db2.gz QJKDLKCOYBSBRX-UHFFFAOYSA-N 0 1 304.459 4.384 20 10 DICDMN Oc1ccc(F)cc1C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000183292071 1053629544 /nfs/dbraw/zinc/62/95/44/1053629544.db2.gz MRDZSQFHEIHXPJ-KRWDZBQOSA-N 0 1 300.377 4.044 20 10 DICDMN CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC001324337988 1053645847 /nfs/dbraw/zinc/64/58/47/1053645847.db2.gz XTDABIRCPFSYAY-CVEARBPZSA-N 0 1 301.455 4.261 20 10 DICDMN CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC001324337988 1053645856 /nfs/dbraw/zinc/64/58/56/1053645856.db2.gz XTDABIRCPFSYAY-CVEARBPZSA-N 0 1 301.455 4.261 20 10 DICDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001200485330 1053695152 /nfs/dbraw/zinc/69/51/52/1053695152.db2.gz CTMKEGCDVZWGCD-JHJVBQTASA-N 0 1 324.262 4.213 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC001325580869 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LSPMOCJNHXOGCF-NSHDSACASA-N 0 1 303.780 4.221 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)cc1Cl ZINC001231870169 1053897313 /nfs/dbraw/zinc/89/73/13/1053897313.db2.gz MCNBCENNIDAPAL-AWEZNQCLSA-N 0 1 311.828 4.458 20 10 DICDMN CC[N@H+](Cc1ccccc1O)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870133 1053897863 /nfs/dbraw/zinc/89/78/63/1053897863.db2.gz LBPHXAKWUVCIMU-UHFFFAOYSA-N 0 1 305.805 4.082 20 10 DICDMN CC[N@@H+](Cc1ccccc1O)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870133 1053897868 /nfs/dbraw/zinc/89/78/68/1053897868.db2.gz LBPHXAKWUVCIMU-UHFFFAOYSA-N 0 1 305.805 4.082 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CCC3(CCC(=O)CC3)CC2)cc1Cl ZINC001231870130 1053898859 /nfs/dbraw/zinc/89/88/59/1053898859.db2.gz KXLRALZOIVETJN-UHFFFAOYSA-N 0 1 321.848 4.079 20 10 DICDMN [O-]c1c(C[N@@H+]2CCc3ccc(F)cc3C2)ccc2ccccc21 ZINC001231880361 1053901435 /nfs/dbraw/zinc/90/14/35/1053901435.db2.gz CNABWUVWMDSTRT-UHFFFAOYSA-N 0 1 307.368 4.243 20 10 DICDMN [O-]c1c(C[N@H+]2CCc3ccc(F)cc3C2)ccc2ccccc21 ZINC001231880361 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[O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001233078126 1054183697 /nfs/dbraw/zinc/18/36/97/1054183697.db2.gz GWOQOHHTVOIAIP-LBPRGKRZSA-N 0 1 323.770 4.313 20 10 DICDMN CCN(Cc1ccccc1F)Cc1cc(Cl)cc(OC)c1O ZINC001233290010 1054224266 /nfs/dbraw/zinc/22/42/66/1054224266.db2.gz CTJWNDJSPXJVRW-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN C[N@@H+](Cc1ccc2ccccc2c1)Cc1c([O-])ccc(F)c1F ZINC001233336134 1054238733 /nfs/dbraw/zinc/23/87/33/1054238733.db2.gz ZUSDFGAVJKVDSE-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334615 1054240417 /nfs/dbraw/zinc/24/04/17/1054240417.db2.gz NQGCQALJXONICU-OAHLLOKOSA-N 0 1 319.351 4.016 20 10 DICDMN Clc1cscc1CNCc1ccc(N2CCCC2)cc1 ZINC001336961989 1054252620 /nfs/dbraw/zinc/25/26/20/1054252620.db2.gz RCXSIUQQMBGJKR-UHFFFAOYSA-N 0 1 306.862 4.292 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC1(F)F ZINC001233415681 1054266044 /nfs/dbraw/zinc/26/60/44/1054266044.db2.gz FQDDRWSPCKTIQU-SNVBAGLBSA-N 0 1 323.305 4.278 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccncc2)cccc1C(F)(F)F ZINC001233417945 1054268336 /nfs/dbraw/zinc/26/83/36/1054268336.db2.gz NOPAGLPRYZTTRQ-OAHLLOKOSA-N 0 1 322.330 4.143 20 10 DICDMN C[N@H+](CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451790 1054276337 /nfs/dbraw/zinc/27/63/37/1054276337.db2.gz ZJULDBGBMBVCGY-UHFFFAOYSA-N 0 1 309.331 4.086 20 10 DICDMN C[N@@H+](CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451790 1054276339 /nfs/dbraw/zinc/27/63/39/1054276339.db2.gz ZJULDBGBMBVCGY-UHFFFAOYSA-N 0 1 309.331 4.086 20 10 DICDMN CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233451868 1054276412 /nfs/dbraw/zinc/27/64/12/1054276412.db2.gz CDIYMTCSUGYPLI-UHFFFAOYSA-N 0 1 323.305 4.278 20 10 DICDMN CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC001233451868 1054276420 /nfs/dbraw/zinc/27/64/20/1054276420.db2.gz CDIYMTCSUGYPLI-UHFFFAOYSA-N 0 1 323.305 4.278 20 10 DICDMN Cc1ccccc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454192 1054276794 /nfs/dbraw/zinc/27/67/94/1054276794.db2.gz KPZRRYQIDOVYEV-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN Cc1ccccc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454192 1054276806 /nfs/dbraw/zinc/27/68/06/1054276806.db2.gz KPZRRYQIDOVYEV-UHFFFAOYSA-N 0 1 309.331 4.351 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001233452429 1054277387 /nfs/dbraw/zinc/27/73/87/1054277387.db2.gz WFJFBFQSLPCLSB-CQSZACIVSA-N 0 1 321.342 4.401 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001233452429 1054277394 /nfs/dbraw/zinc/27/73/94/1054277394.db2.gz WFJFBFQSLPCLSB-CQSZACIVSA-N 0 1 321.342 4.401 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001233454768 1054277636 /nfs/dbraw/zinc/27/76/36/1054277636.db2.gz JPVDMTXWYJJIKH-UHFFFAOYSA-N 0 1 307.315 4.010 20 10 DICDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nc(C2CC2)cs1 ZINC001337797715 1054286279 /nfs/dbraw/zinc/28/62/79/1054286279.db2.gz BWOXDENNNWYZNI-DGCLKSJQSA-N 0 1 314.454 4.373 20 10 DICDMN C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1cc(Cl)ccc1[O-] ZINC001337800978 1054286537 /nfs/dbraw/zinc/28/65/37/1054286537.db2.gz OWLJXBMSTHEVOJ-CYBMUJFWSA-N 0 1 323.864 4.436 20 10 DICDMN C[C@@H]1CCCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233754771 1054350916 /nfs/dbraw/zinc/35/09/16/1054350916.db2.gz KLZSOPJMBAYCQO-LLVKDONJSA-N 0 1 303.324 4.055 20 10 DICDMN C[C@@H]1CCCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754771 1054350930 /nfs/dbraw/zinc/35/09/30/1054350930.db2.gz KLZSOPJMBAYCQO-LLVKDONJSA-N 0 1 303.324 4.055 20 10 DICDMN C[C@@H]1CCCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233754771 1054350943 /nfs/dbraw/zinc/35/09/43/1054350943.db2.gz KLZSOPJMBAYCQO-LLVKDONJSA-N 0 1 303.324 4.055 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cccc1OC(F)(F)F ZINC001233761116 1054353032 /nfs/dbraw/zinc/35/30/32/1054353032.db2.gz QBFWVSUVCFCYKA-AAEUAGOBSA-N 0 1 315.335 4.055 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cccc1OC(F)(F)F ZINC001233761116 1054353044 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C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])CC1CCCCC1 ZINC001233768622 1054355651 /nfs/dbraw/zinc/35/56/51/1054355651.db2.gz WOYOUCCGRFKSCH-UHFFFAOYSA-N 0 1 317.351 4.303 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@](C)(F)CC3)c2c1 ZINC001234525414 1054542512 /nfs/dbraw/zinc/54/25/12/1054542512.db2.gz GKKVGQLFRUMNNS-LJQANCHMSA-N 0 1 317.404 4.268 20 10 DICDMN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@](C)(F)CC3)c2c1 ZINC001234525414 1054542530 /nfs/dbraw/zinc/54/25/30/1054542530.db2.gz GKKVGQLFRUMNNS-LJQANCHMSA-N 0 1 317.404 4.268 20 10 DICDMN Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185501522 1054556297 /nfs/dbraw/zinc/55/62/97/1054556297.db2.gz YRLNNBWXNDJLSU-QWHCGFSZSA-N 0 1 324.424 4.432 20 10 DICDMN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000185564586 1054583323 /nfs/dbraw/zinc/58/33/23/1054583323.db2.gz SYJLOWRNFFTIKR-ZIAGYGMSSA-N 0 1 301.430 4.400 20 10 DICDMN COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000185567185 1054583694 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CCC[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])C1CCOCC1 ZINC001235678007 1054771278 /nfs/dbraw/zinc/77/12/78/1054771278.db2.gz IIYUVKMWWUKKKA-UHFFFAOYSA-N 0 1 305.462 4.081 20 10 DICDMN CCC[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])C1CCOCC1 ZINC001235678007 1054771296 /nfs/dbraw/zinc/77/12/96/1054771296.db2.gz IIYUVKMWWUKKKA-UHFFFAOYSA-N 0 1 305.462 4.081 20 10 DICDMN CC(C)(C)c1ccc(C[N@@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001235681504 1054774136 /nfs/dbraw/zinc/77/41/36/1054774136.db2.gz MPJYYHMOWYZFQN-UHFFFAOYSA-N 0 1 317.473 4.223 20 10 DICDMN CC(C)(C)c1ccc(C[N@H+](C2CCC2)C2CCOCC2)c([O-])c1 ZINC001235681504 1054774150 /nfs/dbraw/zinc/77/41/50/1054774150.db2.gz MPJYYHMOWYZFQN-UHFFFAOYSA-N 0 1 317.473 4.223 20 10 DICDMN CC(C)(C)c1ccc(C[N@@H+](C2CCC2)C2CCOCC2)c([O-])c1 ZINC001235681504 1054774163 /nfs/dbraw/zinc/77/41/63/1054774163.db2.gz MPJYYHMOWYZFQN-UHFFFAOYSA-N 0 1 317.473 4.223 20 10 DICDMN COc1ccc2c(c1)CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235686046 1054779356 /nfs/dbraw/zinc/77/93/56/1054779356.db2.gz WTCAAKLLQROZPA-UHFFFAOYSA-N 0 1 311.425 4.214 20 10 DICDMN CCS[C@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474316271 1054800191 /nfs/dbraw/zinc/80/01/91/1054800191.db2.gz MXOOGDVWXSHOLX-NSHDSACASA-N 0 1 317.857 4.292 20 10 DICDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194311 1054994091 /nfs/dbraw/zinc/99/40/91/1054994091.db2.gz VILDFHUJRLVCMT-GOSISDBHSA-N 0 1 310.372 4.350 20 10 DICDMN Nc1ccc(C2CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001236335395 1055064260 /nfs/dbraw/zinc/06/42/60/1055064260.db2.gz OUMOLTHLPPFTNQ-UHFFFAOYSA-N 0 1 316.832 4.007 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001236663035 1055217361 /nfs/dbraw/zinc/21/73/61/1055217361.db2.gz JRHFISXMMNVUMD-OLZOCXBDSA-N 0 1 324.262 4.085 20 10 DICDMN CCCC[N@@H+](CC)Cc1cc(C)cc(Br)c1[O-] ZINC001236674259 1055220074 /nfs/dbraw/zinc/22/00/74/1055220074.db2.gz XETXHODEUFDQMI-UHFFFAOYSA-N 0 1 300.240 4.085 20 10 DICDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001236797634 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CCC[N@H+](Cc1ccccc1O)C[C@H](OC)C1CCCCC1 ZINC001473196590 1060954944 /nfs/dbraw/zinc/95/49/44/1060954944.db2.gz ZPHCKKJHLRRCAK-IBGZPJMESA-N 0 1 305.462 4.200 20 10 DICDMN Oc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001462152009 1060975432 /nfs/dbraw/zinc/97/54/32/1060975432.db2.gz UYVCDNVKJLMZTL-IDHPPYADSA-N 0 1 311.400 4.442 20 10 DICDMN CC(C)[C@@H]1[N@H+](Cc2c([O-])cccc2Br)CC1(C)C ZINC001462291895 1061083722 /nfs/dbraw/zinc/08/37/22/1061083722.db2.gz HTRXABCBULOILJ-AWEZNQCLSA-N 0 1 312.251 4.021 20 10 DICDMN CC(C)[C@@H]1[N@@H+](Cc2c([O-])cccc2Br)CC1(C)C ZINC001462291895 1061083738 /nfs/dbraw/zinc/08/37/38/1061083738.db2.gz HTRXABCBULOILJ-AWEZNQCLSA-N 0 1 312.251 4.021 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001462335281 1061112765 /nfs/dbraw/zinc/11/27/65/1061112765.db2.gz RNUDIOWPMRBFPG-AEFFLSMTSA-N 0 1 317.379 4.439 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(C)C)C2)c1[O-] ZINC001473392809 1061132489 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Oc1cc(O)c(-c2nc3ccc(-c4ccccc4)cc3[nH]2)cc1O ZINC001251355551 1061328955 /nfs/dbraw/zinc/32/89/55/1061328955.db2.gz SGUSKYZSHPVDIT-UHFFFAOYSA-N 0 1 318.332 4.014 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cc2ccccc2F)c(Cl)c1 ZINC001473952020 1061493845 /nfs/dbraw/zinc/49/38/45/1061493845.db2.gz JRXLUZOJGQBFPG-LBPRGKRZSA-N 0 1 307.796 4.214 20 10 DICDMN COc1ccc(Cl)cc1CNCc1ccc(N(C)C)cc1C ZINC001473995026 1061537615 /nfs/dbraw/zinc/53/76/15/1061537615.db2.gz BVXBJOULIWAPBX-UHFFFAOYSA-N 0 1 318.848 4.013 20 10 DICDMN CCN(CC)c1ccc(CNCc2sccc2OC)cc1F ZINC001473995953 1061540681 /nfs/dbraw/zinc/54/06/81/1061540681.db2.gz UNSQREHFSITGIO-UHFFFAOYSA-N 0 1 322.449 4.032 20 10 DICDMN Cc1nc2cc(NC/C=C\c3ccc(N(C)C)cc3)ccc2n1C ZINC001474051637 1061597299 /nfs/dbraw/zinc/59/72/99/1061597299.db2.gz IURBKACUKARZPQ-WAYWQWQTSA-N 0 1 320.440 4.073 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CSc3ccccc32)c(Cl)c1 ZINC001474157857 1061698456 /nfs/dbraw/zinc/69/84/56/1061698456.db2.gz QIOVIVKPZUNJBL-LBPRGKRZSA-N 0 1 319.857 4.333 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001474355354 1061971195 /nfs/dbraw/zinc/97/11/95/1061971195.db2.gz KTJIOCISNLCYOD-CZUORRHYSA-N 0 1 301.817 4.424 20 10 DICDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474360471 1061988128 /nfs/dbraw/zinc/98/81/28/1061988128.db2.gz QDZGVBULGRWDTJ-NWDGAFQWSA-N 0 1 317.857 4.291 20 10 DICDMN C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cccc(F)c1[O-] ZINC001474363418 1061990237 /nfs/dbraw/zinc/99/02/37/1061990237.db2.gz JPEGUVYCPBIYQG-UHFFFAOYSA-N 0 1 323.795 4.086 20 10 DICDMN Cc1cc(O)c(CN2CCOc3ccccc3[C@@H]2C)cc1Cl ZINC001474363755 1061993523 /nfs/dbraw/zinc/99/35/23/1061993523.db2.gz KZRNDPYDEOXYSO-ZDUSSCGKSA-N 0 1 317.816 4.310 20 10 DICDMN C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001474365263 1061995825 /nfs/dbraw/zinc/99/58/25/1061995825.db2.gz ZYMJCDFCSQETNO-SECBINFHSA-N 0 1 313.294 4.142 20 10 DICDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474424865 1062098232 /nfs/dbraw/zinc/09/82/32/1062098232.db2.gz RZEBTZNPTXMAMS-MLGOLLRUSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474424865 1062098250 /nfs/dbraw/zinc/09/82/50/1062098250.db2.gz RZEBTZNPTXMAMS-MLGOLLRUSA-N 0 1 302.805 4.024 20 10 DICDMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001474424865 1062098272 /nfs/dbraw/zinc/09/82/72/1062098272.db2.gz RZEBTZNPTXMAMS-MLGOLLRUSA-N 0 1 302.805 4.024 20 10 DICDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001474451816 1062129984 /nfs/dbraw/zinc/12/99/84/1062129984.db2.gz IJXTWEBOUSFWMO-UHFFFAOYSA-N 0 1 324.262 4.311 20 10 DICDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC2(CCCC2)C1 ZINC001474451816 1062129988 /nfs/dbraw/zinc/12/99/88/1062129988.db2.gz IJXTWEBOUSFWMO-UHFFFAOYSA-N 0 1 324.262 4.311 20 10 DICDMN Oc1ccc(F)cc1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC001474499074 1062178707 /nfs/dbraw/zinc/17/87/07/1062178707.db2.gz JCKJQNBQSXPNPF-UHFFFAOYSA-N 0 1 315.363 4.350 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001474528724 1062213093 /nfs/dbraw/zinc/21/30/93/1062213093.db2.gz VBUNTKKVUQQHFR-UHFFFAOYSA-N 0 1 301.817 4.037 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCc2ccccc2CC1 ZINC001474528724 1062213116 /nfs/dbraw/zinc/21/31/16/1062213116.db2.gz VBUNTKKVUQQHFR-UHFFFAOYSA-N 0 1 301.817 4.037 20 10 DICDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H]1CC1(C)C ZINC001474587268 1062295510 /nfs/dbraw/zinc/29/55/10/1062295510.db2.gz PSJRGQQQKZDJHZ-STQMWFEESA-N 0 1 312.251 4.069 20 10 DICDMN Cc1cc([O-])c(C[NH+]2CC(Cc3ccsc3)C2)c(Cl)c1 ZINC001474643323 1062367466 /nfs/dbraw/zinc/36/74/66/1062367466.db2.gz PZYRNUAWSBQLJB-UHFFFAOYSA-N 0 1 307.846 4.090 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@H]1c2ccccc2CC[C@H]1F ZINC001474680214 1062409840 /nfs/dbraw/zinc/40/98/40/1062409840.db2.gz VGUXPAVQYLEZKW-UXHICEINSA-N 0 1 312.432 4.176 20 10 DICDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCC2(CCC2)O1 ZINC001460022302 1062579067 /nfs/dbraw/zinc/57/90/67/1062579067.db2.gz FXCVUWPXZNKOEY-GOSISDBHSA-N 0 1 317.473 4.486 20 10 DICDMN CN(C)c1ccc(CNC(C)(C)c2ccc(F)cc2F)cc1 ZINC001460776851 1063054442 /nfs/dbraw/zinc/05/44/42/1063054442.db2.gz GDYZDFHIHSRAJQ-UHFFFAOYSA-N 0 1 304.384 4.056 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CCCC[C@@H]2C)c(Cl)c1 ZINC001461053843 1063220877 /nfs/dbraw/zinc/22/08/77/1063220877.db2.gz PITWCFYQFLMSHJ-GUYCJALGSA-N 0 1 311.853 4.039 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCOc2c(C)cccc2C)c(Cl)c1 ZINC001461080123 1063238037 /nfs/dbraw/zinc/23/80/37/1063238037.db2.gz YTLLXPSOIKYMTH-UHFFFAOYSA-N 0 1 319.832 4.139 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC001461219793 1063343366 /nfs/dbraw/zinc/34/33/66/1063343366.db2.gz CBKYUWOBAPUMAF-RHSMWYFYSA-N 0 1 301.817 4.075 20 10 DICDMN CCCOc1ccc(CN[C@@H](COC)c2ccccc2)cc1C ZINC001461359356 1063442846 /nfs/dbraw/zinc/44/28/46/1063442846.db2.gz LUSJOKAFWMSYPA-IBGZPJMESA-N 0 1 313.441 4.261 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCc3ccccc3C2)c(Cl)c1 ZINC001461393278 1063470280 /nfs/dbraw/zinc/47/02/80/1063470280.db2.gz QXLXNSQQWAPBHL-CQSZACIVSA-N 0 1 315.844 4.249 20 10 DICDMN Oc1c(Cl)cc(Cl)cc1CNc1cc(Cl)ccn1 ZINC001461589441 1063597634 /nfs/dbraw/zinc/59/76/34/1063597634.db2.gz NXLKYLDHBRRKFJ-UHFFFAOYSA-N 0 1 303.576 4.360 20 10 DICDMN Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC001461730368 1063684272 /nfs/dbraw/zinc/68/42/72/1063684272.db2.gz LMQIIDYWIDPKHW-UHFFFAOYSA-N 0 1 314.816 4.136 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC001461838824 1063742833 /nfs/dbraw/zinc/74/28/33/1063742833.db2.gz QEROUKLULJKGAI-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC001461838824 1063742845 /nfs/dbraw/zinc/74/28/45/1063742845.db2.gz QEROUKLULJKGAI-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC001461873777 1063762665 /nfs/dbraw/zinc/76/26/65/1063762665.db2.gz QHRLUAQQKLBDDP-HNNXBMFYSA-N 0 1 307.340 4.381 20 10 DICDMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893107 1063780199 /nfs/dbraw/zinc/78/01/99/1063780199.db2.gz BENJFUYQVXGUHE-BLLLJJGKSA-N 0 1 303.352 4.048 20 10 DICDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001461893112 1063781665 /nfs/dbraw/zinc/78/16/65/1063781665.db2.gz BENJFUYQVXGUHE-LRDDRELGSA-N 0 1 303.352 4.048 20 10 DICDMN CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001461924889 1063809478 /nfs/dbraw/zinc/80/94/78/1063809478.db2.gz FCTQPASHOCSMRG-UHFFFAOYSA-N 0 1 321.367 4.090 20 10 DICDMN CC[N@@H+](CCC1CC1)Cc1cc(C)cc(Br)c1[O-] ZINC001462056533 1063906040 /nfs/dbraw/zinc/90/60/40/1063906040.db2.gz UUVJZVDQPBIONP-UHFFFAOYSA-N 0 1 312.251 4.085 20 10 DICDMN CS[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)(C)C ZINC001462081688 1063918572 /nfs/dbraw/zinc/91/85/72/1063918572.db2.gz BBIHLXJZGVLPBH-CQSZACIVSA-N 0 1 301.883 4.221 20 10 DICDMN COc1cc(Cl)cc(C[N@H+]2CCCc3ccccc3C2)c1O ZINC000388506694 1064110385 /nfs/dbraw/zinc/11/03/85/1064110385.db2.gz GXAVAUVBZOEPNF-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(Br)cc1[O-] ZINC001332341537 1064113536 /nfs/dbraw/zinc/11/35/36/1064113536.db2.gz WVQQFBJCRHHDRH-MVWJERBFSA-N 0 1 316.214 4.086 20 10 DICDMN CCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001307563241 1065484685 /nfs/dbraw/zinc/48/46/85/1065484685.db2.gz KLGJADSDQHUAGX-CYBMUJFWSA-N 0 1 309.837 4.260 20 10 DICDMN CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001307657299 1065547727 /nfs/dbraw/zinc/54/77/27/1065547727.db2.gz MGQQOAKFDKWUKO-DYVFJYSZSA-N 0 1 307.409 4.182 20 10 DICDMN Cc1cc(O)c(CNCc2ccc([C@H]3C[C@@H]3C)o2)c(Cl)c1 ZINC001308207958 1065814409 /nfs/dbraw/zinc/81/44/09/1065814409.db2.gz JLMLONHOCOFCPX-AAEUAGOBSA-N 0 1 305.805 4.360 20 10 DICDMN Cc1cc(CNCc2ccc(C)cn2)c(C)n1-c1cccc(C)c1 ZINC001308488033 1066023098 /nfs/dbraw/zinc/02/30/98/1066023098.db2.gz IAQPVHUXKRYGOZ-UHFFFAOYSA-N 0 1 319.452 4.396 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCC2(F)F)c(Cl)c1 ZINC001308502507 1066032609 /nfs/dbraw/zinc/03/26/09/1066032609.db2.gz SSKJAMMUSXSKJW-LLVKDONJSA-N 0 1 303.780 4.269 20 10 DICDMN C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001308563829 1066072303 /nfs/dbraw/zinc/07/23/03/1066072303.db2.gz CUAPVNYMOQRIQN-ZFWWWQNUSA-N 0 1 317.379 4.124 20 10 DICDMN CCC[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCc2ccccc2C1 ZINC001308590216 1066103927 /nfs/dbraw/zinc/10/39/27/1066103927.db2.gz DZGZCLHBNODVDL-SFHVURJKSA-N 0 1 313.416 4.301 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CCc2cccc(F)c2[C@H]1C ZINC001308624383 1066123623 /nfs/dbraw/zinc/12/36/23/1066123623.db2.gz MBISIFOTCZOSRL-OAHLLOKOSA-N 0 1 312.432 4.319 20 10 DICDMN CCC[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001308630609 1066126569 /nfs/dbraw/zinc/12/65/69/1066126569.db2.gz JSBPTSIOCPHMTN-NSHDSACASA-N 0 1 300.240 4.084 20 10 DICDMN CN(C)c1cc(F)c(CN(C)[C@@H]2CCc3ccccc32)cc1F ZINC001308661140 1066142326 /nfs/dbraw/zinc/14/23/26/1066142326.db2.gz YFDCFWGQOORJBV-GOSISDBHSA-N 0 1 316.395 4.150 20 10 DICDMN C[C@@H]1COc2ccccc2CN1C/C=C/c1ccc(N(C)C)cc1 ZINC001308686055 1066154967 /nfs/dbraw/zinc/15/49/67/1066154967.db2.gz XWOKAMZAFZKAEI-DKRLNXSXSA-N 0 1 322.452 4.049 20 10 DICDMN Cc1[nH]nc(CN(C)c2ccc(OCc3ccccc3)cc2)c1C ZINC001308698332 1066185955 /nfs/dbraw/zinc/18/59/55/1066185955.db2.gz WWXGYFVYHPFTBF-UHFFFAOYSA-N 0 1 321.424 4.242 20 10 DICDMN Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001308718788 1066197584 /nfs/dbraw/zinc/19/75/84/1066197584.db2.gz SPUNHZCXOIAZOP-GOSISDBHSA-N 0 1 319.807 4.425 20 10 DICDMN CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@@H](O)c1ccccc1 ZINC001308735983 1066212160 /nfs/dbraw/zinc/21/21/60/1066212160.db2.gz NBLFNTPPPJUWSQ-AEFFLSMTSA-N 0 1 319.832 4.038 20 10 DICDMN CCCC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCCC[C@H]1OC ZINC001308768074 1066241087 /nfs/dbraw/zinc/24/10/87/1066241087.db2.gz ZIVBKBNZJJXWOO-IEBWSBKVSA-N 0 1 305.462 4.260 20 10 DICDMN CC(C)c1ccc(O)c(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC001308778813 1066251036 /nfs/dbraw/zinc/25/10/36/1066251036.db2.gz KTFVQIAPZIDQKP-IBGZPJMESA-N 0 1 310.441 4.494 20 10 DICDMN COc1cc(CN2CCC[C@](C)(F)C2)c(O)c(C(C)(C)C)c1 ZINC001308781527 1066255663 /nfs/dbraw/zinc/25/56/63/1066255663.db2.gz HDVPWRCWNVJETD-SFHVURJKSA-N 0 1 309.425 4.022 20 10 DICDMN Cc1ccccc1CC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001308787732 1066262884 /nfs/dbraw/zinc/26/28/84/1066262884.db2.gz XYBAOERHBCCDKO-UHFFFAOYSA-N 0 1 307.796 4.168 20 10 DICDMN CC(C)[C@H]1[N@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001308791492 1066265919 /nfs/dbraw/zinc/26/59/19/1066265919.db2.gz OPNUUHAHOWPDMQ-OAHLLOKOSA-N 0 1 324.262 4.165 20 10 DICDMN CC(C)[C@H]1[N@@H+](Cc2c([O-])cccc2Br)CC12CCC2 ZINC001308791492 1066265926 /nfs/dbraw/zinc/26/59/26/1066265926.db2.gz OPNUUHAHOWPDMQ-OAHLLOKOSA-N 0 1 324.262 4.165 20 10 DICDMN Cc1cc(O)c(CN2Cc3ccccc3O[C@@H](C)C2)c(Cl)c1 ZINC001308791394 1066266339 /nfs/dbraw/zinc/26/63/39/1066266339.db2.gz FALWXVHUQCWOQZ-ZDUSSCGKSA-N 0 1 317.816 4.137 20 10 DICDMN C[C@H]1c2ccsc2CCN1Cc1c(O)ccc(Cl)c1F ZINC001308804812 1066282642 /nfs/dbraw/zinc/28/26/42/1066282642.db2.gz WYZXKTXJRCFOMG-VIFPVBQESA-N 0 1 311.809 4.366 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC001308817526 1066294079 /nfs/dbraw/zinc/29/40/79/1066294079.db2.gz FPZWAYZPAOAMQR-ZDUSSCGKSA-N 0 1 324.262 4.085 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001308846577 1066323706 /nfs/dbraw/zinc/32/37/06/1066323706.db2.gz UBSXRMFNJFXQNQ-PBHICJAKSA-N 0 1 323.864 4.121 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1Cl ZINC001308863015 1066341337 /nfs/dbraw/zinc/34/13/37/1066341337.db2.gz CYSHPIYFKQKFOQ-RDTXWAMCSA-N 0 1 323.864 4.135 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1Cl ZINC001308863015 1066341356 /nfs/dbraw/zinc/34/13/56/1066341356.db2.gz CYSHPIYFKQKFOQ-RDTXWAMCSA-N 0 1 323.864 4.135 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001308887505 1066367933 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[O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000274222794 130218583 /nfs/dbraw/zinc/21/85/83/130218583.db2.gz ZHQKYLYWQRPBSB-RDTXWAMCSA-N 0 1 317.816 4.056 20 10 DICDMN Cc1ccc([C@@H](C)N[C@H](C)c2nccn2-c2ccccc2)c(O)c1 ZINC000286888167 131254049 /nfs/dbraw/zinc/25/40/49/131254049.db2.gz CWFDUMPWBRNQML-HZPDHXFCSA-N 0 1 321.424 4.298 20 10 DICDMN Cc1cc(C)c([C@H](C)NCc2cc(F)cnc2Cl)c(O)c1 ZINC000297376918 132012639 /nfs/dbraw/zinc/01/26/39/132012639.db2.gz QUCWPJDFRBIUCI-NSHDSACASA-N 0 1 308.784 4.047 20 10 DICDMN COCc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccc1F ZINC000185495454 333209268 /nfs/dbraw/zinc/20/92/68/333209268.db2.gz OEFLVGJBKKZFHP-NSHDSACASA-N 0 1 323.795 4.182 20 10 DICDMN COCc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ccc1F ZINC000185495474 333209295 /nfs/dbraw/zinc/20/92/95/333209295.db2.gz OEFLVGJBKKZFHP-LLVKDONJSA-N 0 1 323.795 4.182 20 10 DICDMN COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000186034292 333216525 /nfs/dbraw/zinc/21/65/25/333216525.db2.gz YWMRGMLRZIWBLY-BLLLJJGKSA-N 0 1 305.805 4.084 20 10 DICDMN CCN(CC)c1ccc(CN[C@@H](C)c2cccnc2Cl)cc1 ZINC000178228432 520909100 /nfs/dbraw/zinc/90/91/00/520909100.db2.gz OQXLHXQGNSJQHB-AWEZNQCLSA-N 0 1 317.864 4.432 20 10 DICDMN CC[C@@H](N[C@@H](COC)c1ccc(C)o1)c1ccc(N(C)C)cc1 ZINC000156447551 522922638 /nfs/dbraw/zinc/92/26/38/522922638.db2.gz FXBPAFLISDMQES-MSOLQXFVSA-N 0 1 316.445 4.082 20 10 DICDMN C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc2ccccc2c1[O-] ZINC000192914105 525383525 /nfs/dbraw/zinc/38/35/25/525383525.db2.gz AGFJHTHISHINMR-KSSFIOAISA-N 0 1 324.424 4.092 20 10 DICDMN C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(N(C)C)cc1 ZINC000180716287 525626551 /nfs/dbraw/zinc/62/65/51/525626551.db2.gz ZUWHVLUJTOLMSE-UGSOOPFHSA-N 0 1 314.404 4.066 20 10 DICDMN C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(Cl)ccc1[O-] ZINC000188043417 525627488 /nfs/dbraw/zinc/62/74/88/525627488.db2.gz IJVMATBBFZJJPF-BONVTDFDSA-N 0 1 321.779 4.359 20 10 DICDMN CC[C@H](CC(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001160600204 1048068976 /nfs/dbraw/zinc/06/89/76/1048068976.db2.gz RIBMNJHSWIWARP-SNVBAGLBSA-N 0 1 318.244 4.388 20 10 DICDMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001204480450 1036339483 /nfs/dbraw/zinc/33/94/83/1036339483.db2.gz SBDYLIJLZAGKJY-SMDDNHRTSA-N 0 1 321.342 4.188 20 10 DICDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCCc2ccccc21 ZINC000023611987 1036413166 /nfs/dbraw/zinc/41/31/66/1036413166.db2.gz OUJHCIRXJAKYKG-HXUWFJFHSA-N 0 1 318.420 4.450 20 10 DICDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCCc2ccccc21 ZINC000023611987 1036413170 /nfs/dbraw/zinc/41/31/70/1036413170.db2.gz OUJHCIRXJAKYKG-HXUWFJFHSA-N 0 1 318.420 4.450 20 10 DICDMN C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C[C@H]1C ZINC000706843702 1037503390 /nfs/dbraw/zinc/50/33/90/1037503390.db2.gz WTLKAFWGNQEHJP-IJLUTSLNSA-N 0 1 312.251 4.069 20 10 DICDMN CCC1([NH2+]Cc2c([O-])cccc2Br)CCCCC1 ZINC000706868362 1037519181 /nfs/dbraw/zinc/51/91/81/1037519181.db2.gz JQUVUVTWTMOYPW-UHFFFAOYSA-N 0 1 312.251 4.357 20 10 DICDMN CCC1(CC)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707131266 1037807641 /nfs/dbraw/zinc/80/76/41/1037807641.db2.gz ITPQHEONXGPLKX-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN CCC1(CC)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707131266 1037807654 /nfs/dbraw/zinc/80/76/54/1037807654.db2.gz ITPQHEONXGPLKX-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN CCC1(CC)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707131266 1037807665 /nfs/dbraw/zinc/80/76/65/1037807665.db2.gz ITPQHEONXGPLKX-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN COc1ccc([C@H](C)[N@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140465617 1038137257 /nfs/dbraw/zinc/13/72/57/1038137257.db2.gz OHMZDZCWEZFEBK-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001140465617 1038137266 /nfs/dbraw/zinc/13/72/66/1038137266.db2.gz OHMZDZCWEZFEBK-LBPRGKRZSA-N 0 1 305.805 4.247 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001140467246 1038166379 /nfs/dbraw/zinc/16/63/79/1038166379.db2.gz RNCVEBLCVJMUNJ-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001140467246 1038166390 /nfs/dbraw/zinc/16/63/90/1038166390.db2.gz RNCVEBLCVJMUNJ-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN Oc1cc(Cl)ccc1CN1CCSC[C@H]1c1ccccc1 ZINC001140467246 1038166395 /nfs/dbraw/zinc/16/63/95/1038166395.db2.gz RNCVEBLCVJMUNJ-INIZCTEOSA-N 0 1 319.857 4.336 20 10 DICDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC12CCCCC2 ZINC001204582104 1038522496 /nfs/dbraw/zinc/52/24/96/1038522496.db2.gz ZYHCJZDKPSGHBM-UHFFFAOYSA-N 0 1 324.262 4.453 20 10 DICDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC12CCCCC2 ZINC001204582104 1038522500 /nfs/dbraw/zinc/52/25/00/1038522500.db2.gz ZYHCJZDKPSGHBM-UHFFFAOYSA-N 0 1 324.262 4.453 20 10 DICDMN CCC[N@@H+](Cc1ccccc1O)C[C@]1(C)CC1(Cl)Cl ZINC001167521656 1038546580 /nfs/dbraw/zinc/54/65/80/1038546580.db2.gz FSMHBQGUCAQNCC-AWEZNQCLSA-N 0 1 302.245 4.188 20 10 DICDMN CCCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708133988 1038955035 /nfs/dbraw/zinc/95/50/35/1038955035.db2.gz OYFQXTJLSDPZCU-UHFFFAOYSA-N 0 1 306.631 4.040 20 10 DICDMN COc1cccc(CNc2cc(C)nc3ccc(F)cc32)c1O ZINC000091479195 1038976061 /nfs/dbraw/zinc/97/60/61/1038976061.db2.gz CTPFPBGHVVUQIR-UHFFFAOYSA-N 0 1 312.344 4.009 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1Cl ZINC001204607898 1039343563 /nfs/dbraw/zinc/34/35/63/1039343563.db2.gz AGXDWWREUZASPV-UHFFFAOYSA-N 0 1 314.816 4.467 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1Cl ZINC001204607898 1039343570 /nfs/dbraw/zinc/34/35/70/1039343570.db2.gz AGXDWWREUZASPV-UHFFFAOYSA-N 0 1 314.816 4.467 20 10 DICDMN C[C@]1(F)CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415952 1039412633 /nfs/dbraw/zinc/41/26/33/1039412633.db2.gz PWFXOSRKEMBACA-AWEZNQCLSA-N 0 1 305.315 4.125 20 10 DICDMN COc1cccc(CN(Cc2ccco2)Cc2ccccc2)c1O ZINC000162211978 1039772916 /nfs/dbraw/zinc/77/29/16/1039772916.db2.gz AJXOMQDXCLOTIC-UHFFFAOYSA-N 0 1 323.392 4.196 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809738131 1041239808 /nfs/dbraw/zinc/23/98/08/1041239808.db2.gz QJZASDUKNTWWNE-UHFFFAOYSA-N 0 1 317.816 4.163 20 10 DICDMN [O-]c1cccc(Cl)c1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809738131 1041239824 /nfs/dbraw/zinc/23/98/24/1041239824.db2.gz QJZASDUKNTWWNE-UHFFFAOYSA-N 0 1 317.816 4.163 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000809764237 1041250125 /nfs/dbraw/zinc/25/01/25/1041250125.db2.gz VFBUITLWWRLRHI-UHFFFAOYSA-N 0 1 323.223 4.259 20 10 DICDMN CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810217780 1041338430 /nfs/dbraw/zinc/33/84/30/1041338430.db2.gz BHHAFWHYEBKPQO-CABZTGNLSA-N 0 1 307.381 4.203 20 10 DICDMN CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810222162 1041339318 /nfs/dbraw/zinc/33/93/18/1041339318.db2.gz OHWGJTDZXXFZKJ-UKRRQHHQSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@H]([NH2+][C@H]1CCCSC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221147 1041340286 /nfs/dbraw/zinc/34/02/86/1041340286.db2.gz LQSHGXXNCPBAND-AAEUAGOBSA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223677 1041341178 /nfs/dbraw/zinc/34/11/78/1041341178.db2.gz NYVSKRXILWTRDU-WCQYABFASA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810223678 1041342052 /nfs/dbraw/zinc/34/20/52/1041342052.db2.gz NYVSKRXILWTRDU-YPMHNXCESA-N 0 1 319.392 4.347 20 10 DICDMN CC[C@@H](O)CCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227345 1041342339 /nfs/dbraw/zinc/34/23/39/1041342339.db2.gz VUNOAHDLJDBICP-OCCSQVGLSA-N 0 1 319.367 4.003 20 10 DICDMN CC[C@@H]([NH2+]CCCCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810229245 1041344165 /nfs/dbraw/zinc/34/41/65/1041344165.db2.gz AXELUEHSTSVDLA-CQSZACIVSA-N 0 1 319.367 4.004 20 10 DICDMN CC[C@H]([NH2+]CCOC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810233075 1041345429 /nfs/dbraw/zinc/34/54/29/1041345429.db2.gz QDXMIHJDDVHFQB-AWEZNQCLSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810234269 1041346109 /nfs/dbraw/zinc/34/61/09/1041346109.db2.gz BEWJEVHQWZQMBE-CYBMUJFWSA-N 0 1 317.351 4.021 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208617 1041347607 /nfs/dbraw/zinc/34/76/07/1041347607.db2.gz CXVLNJHLZYCJKB-OAHLLOKOSA-N 0 1 324.346 4.355 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241777 1041356284 /nfs/dbraw/zinc/35/62/84/1041356284.db2.gz YOJJHAVATBJBAV-TVYUQYBPSA-N 0 1 319.392 4.203 20 10 DICDMN CC1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000811528350 1041530971 /nfs/dbraw/zinc/53/09/71/1041530971.db2.gz CKXMMPUCFWZNCW-UHFFFAOYSA-N 0 1 316.228 4.286 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cc(C)sc2C)c1[O-] ZINC000182755273 1041573279 /nfs/dbraw/zinc/57/32/79/1041573279.db2.gz RZILQIGFPZTDHY-SNVBAGLBSA-N 0 1 321.417 4.263 20 10 DICDMN C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2ccccc2c1[O-] ZINC000185377939 1041611858 /nfs/dbraw/zinc/61/18/58/1041611858.db2.gz BDDKMHZLRKXWOL-CYBMUJFWSA-N 0 1 320.367 4.407 20 10 DICDMN CCc1nc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)cs1 ZINC000185397248 1041612105 /nfs/dbraw/zinc/61/21/05/1041612105.db2.gz FBFSAZNPQSAURF-LBPRGKRZSA-N 0 1 316.470 4.141 20 10 DICDMN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000185567149 1041616765 /nfs/dbraw/zinc/61/67/65/1041616765.db2.gz QFSLEAAXCYBSJR-QWRGUYRKSA-N 0 1 307.340 4.091 20 10 DICDMN Oc1ccc(O)c(CN2CCC[C@H]2c2ccc(Cl)s2)c1 ZINC001141160239 1041650350 /nfs/dbraw/zinc/65/03/50/1041650350.db2.gz UQLYGIANMPDXNH-LBPRGKRZSA-N 0 1 309.818 4.150 20 10 DICDMN C/C=C(/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O)CC ZINC000813683312 1041726397 /nfs/dbraw/zinc/72/63/97/1041726397.db2.gz KBSXNCKPZJRUJS-YXGJEIQZSA-N 0 1 314.212 4.228 20 10 DICDMN CC/C(C)=C(/C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682355 1041726809 /nfs/dbraw/zinc/72/68/09/1041726809.db2.gz ADGOZUBBNFWXGY-HJWRWDBZSA-N 0 1 302.201 4.062 20 10 DICDMN CCSc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000813791127 1041732490 /nfs/dbraw/zinc/73/24/90/1041732490.db2.gz UQQIZPHIHNPKQO-UHFFFAOYSA-N 0 1 307.846 4.447 20 10 DICDMN CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCCC3)[C@@H]1c1ccncc1 ZINC000814227045 1041794271 /nfs/dbraw/zinc/79/42/71/1041794271.db2.gz AMNWIVDCNQTQJG-HXUWFJFHSA-N 0 1 322.452 4.249 20 10 DICDMN CC1(C)CN(Cc2cc3c(cc2O)CCCC3)[C@@H]1c1ccncc1 ZINC000814227045 1041794278 /nfs/dbraw/zinc/79/42/78/1041794278.db2.gz AMNWIVDCNQTQJG-HXUWFJFHSA-N 0 1 322.452 4.249 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2ccccc2C)c1[O-] ZINC000815149351 1041928055 /nfs/dbraw/zinc/92/80/55/1041928055.db2.gz JRTNSGDXIUJQER-UHFFFAOYSA-N 0 1 315.388 4.067 20 10 DICDMN Cc1cc(C)c([C@H](C)Nc2ccc(CN(C)C)c(F)c2)c(O)c1 ZINC000815613492 1041973437 /nfs/dbraw/zinc/97/34/37/1041973437.db2.gz OUFYKWZOYOXTJD-AWEZNQCLSA-N 0 1 316.420 4.383 20 10 DICDMN Cc1cc(C)c([C@@H](C)NCc2c(F)cc(F)cc2F)c(O)c1 ZINC000815649752 1041985647 /nfs/dbraw/zinc/98/56/47/1041985647.db2.gz XYSMPBNDDQVVOF-LLVKDONJSA-N 0 1 309.331 4.277 20 10 DICDMN CCOc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cc1 ZINC000816539527 1042063168 /nfs/dbraw/zinc/06/31/68/1042063168.db2.gz JSEFOVGCBLLHOG-UHFFFAOYSA-N 0 1 307.393 4.234 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)ccc2ccccc21 ZINC000816551489 1042064331 /nfs/dbraw/zinc/06/43/31/1042064331.db2.gz CWRGNWQKKHDKCD-UYAOXDASSA-N 0 1 303.405 4.266 20 10 DICDMN CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816549952 1042065144 /nfs/dbraw/zinc/06/51/44/1042065144.db2.gz DBVBYKOMCYRIFO-CVEARBPZSA-N 0 1 301.455 4.309 20 10 DICDMN [O-]c1c(C[NH2+]C[C@H]2CCOc3ccccc32)ccc2ccccc21 ZINC000816549141 1042065173 /nfs/dbraw/zinc/06/51/73/1042065173.db2.gz FWCKFDIYNHPKAB-MRXNPFEDSA-N 0 1 319.404 4.201 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)ccc2ccccc21 ZINC000816584291 1042066404 /nfs/dbraw/zinc/06/64/04/1042066404.db2.gz HBXJPSYSUZWIKE-GOSISDBHSA-N 0 1 323.367 4.298 20 10 DICDMN [O-]c1c(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)ccc2ccccc21 ZINC000816556149 1042066903 /nfs/dbraw/zinc/06/69/03/1042066903.db2.gz BIPLTKWUDXHWDB-NJDAHSKKSA-N 0 1 315.416 4.221 20 10 DICDMN [O-]c1c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)ccc2ccccc21 ZINC000816556441 1042067114 /nfs/dbraw/zinc/06/71/14/1042067114.db2.gz IXHCVOJUFFEPHE-QGZVFWFLSA-N 0 1 311.425 4.127 20 10 DICDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])[C@@H]1CCCCO1 ZINC000816556427 1042067901 /nfs/dbraw/zinc/06/79/01/1042067901.db2.gz IRVXLZAIANXSGD-SFHVURJKSA-N 0 1 313.441 4.230 20 10 DICDMN CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560676 1042068646 /nfs/dbraw/zinc/06/86/46/1042068646.db2.gz XGBZDIWYSFZPIJ-MSOLQXFVSA-N 0 1 313.441 4.229 20 10 DICDMN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559625 1042068666 /nfs/dbraw/zinc/06/86/66/1042068666.db2.gz PSHSQNGKIKDQLM-AEFFLSMTSA-N 0 1 313.441 4.229 20 10 DICDMN Oc1c(CN2CCC=C(Br)C2)ccc2ccccc21 ZINC000816599262 1042071922 /nfs/dbraw/zinc/07/19/22/1042071922.db2.gz HNFFZPCTIPAZFC-UHFFFAOYSA-N 0 1 318.214 4.030 20 10 DICDMN C[C@]12CC[N@H+](Cc3ccc4ccccc4c3[O-])C[C@H]1C2(F)F ZINC000816617153 1042072890 /nfs/dbraw/zinc/07/28/90/1042072890.db2.gz POUCRBCKRRVHID-WBVHZDCISA-N 0 1 303.352 4.023 20 10 DICDMN C[C@]12CC[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@H]1C2(F)F ZINC000816617153 1042072893 /nfs/dbraw/zinc/07/28/93/1042072893.db2.gz POUCRBCKRRVHID-WBVHZDCISA-N 0 1 303.352 4.023 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000816610575 1042073376 /nfs/dbraw/zinc/07/33/76/1042073376.db2.gz PPBTYUQFAHTICK-IBGZPJMESA-N 0 1 304.393 4.278 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000816610575 1042073386 /nfs/dbraw/zinc/07/33/86/1042073386.db2.gz PPBTYUQFAHTICK-IBGZPJMESA-N 0 1 304.393 4.278 20 10 DICDMN CCC[N@H+](CCc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816610673 1042073438 /nfs/dbraw/zinc/07/34/38/1042073438.db2.gz UDLJONRGCQUDLU-UHFFFAOYSA-N 0 1 320.436 4.395 20 10 DICDMN CCC[N@@H+](CCc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816610673 1042073446 /nfs/dbraw/zinc/07/34/46/1042073446.db2.gz UDLJONRGCQUDLU-UHFFFAOYSA-N 0 1 320.436 4.395 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](C)c1cccnc1 ZINC000816612159 1042073489 /nfs/dbraw/zinc/07/34/89/1042073489.db2.gz IAFLEIPAYHDRRK-NSHDSACASA-N 0 1 308.784 4.163 20 10 DICDMN CC1(C)CN(Cc2c(O)ccc(Cl)c2F)[C@@H]1c1ccncc1 ZINC000816622229 1042075088 /nfs/dbraw/zinc/07/50/88/1042075088.db2.gz ZVNPFHUIPFUIOH-MRXNPFEDSA-N 0 1 320.795 4.163 20 10 DICDMN C[C@@H]([NH2+]CC1SCCS1)c1ccc2ccccc2c1[O-] ZINC000692856748 1042077080 /nfs/dbraw/zinc/07/70/80/1042077080.db2.gz RGGYLKCDLVGLHO-LLVKDONJSA-N 0 1 305.468 4.002 20 10 DICDMN [O-]c1c(C[NH2+]C[C@@H]2CC23CCSCC3)ccc2ccccc21 ZINC000817411733 1042108421 /nfs/dbraw/zinc/10/84/21/1042108421.db2.gz UVWHQMMSUUIGFK-INIZCTEOSA-N 0 1 313.466 4.168 20 10 DICDMN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccncc1Cl ZINC000817576896 1042116315 /nfs/dbraw/zinc/11/63/15/1042116315.db2.gz ZVFSOVRZMSWUEO-AWEZNQCLSA-N 0 1 315.848 4.186 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(Cl)ccc1[O-] ZINC000817588070 1042119366 /nfs/dbraw/zinc/11/93/66/1042119366.db2.gz BRXNSOBWQCQDFQ-NWDGAFQWSA-N 0 1 311.878 4.230 20 10 DICDMN CCOC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])C(C)C ZINC000318308345 1042268994 /nfs/dbraw/zinc/26/89/94/1042268994.db2.gz QBLASHXLGJTRLN-RDTXWAMCSA-N 0 1 301.430 4.257 20 10 DICDMN CCc1nc(C)c(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])o1 ZINC000291836630 1042491080 /nfs/dbraw/zinc/49/10/80/1042491080.db2.gz FQFLNRIJRXOLJH-GFCCVEGCSA-N 0 1 310.397 4.255 20 10 DICDMN CC[C@@H]([NH2+]CCc1cccc(C)n1)c1cc(Cl)ccc1[O-] ZINC000794826791 1043066290 /nfs/dbraw/zinc/06/62/90/1043066290.db2.gz DUFQJXSYWDXICV-MRXNPFEDSA-N 0 1 304.821 4.032 20 10 DICDMN CCOCc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184932318 1043192308 /nfs/dbraw/zinc/19/23/08/1043192308.db2.gz ZVGHESHYVCXPSY-ZDUSSCGKSA-N 0 1 319.832 4.433 20 10 DICDMN COCc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000184941707 1043192688 /nfs/dbraw/zinc/19/26/88/1043192688.db2.gz WOWAVYKYMFHJKJ-LBPRGKRZSA-N 0 1 305.805 4.043 20 10 DICDMN COCc1ccccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184925796 1043193467 /nfs/dbraw/zinc/19/34/67/1043193467.db2.gz BBKOOSGUSNXKJJ-GFCCVEGCSA-N 0 1 305.805 4.043 20 10 DICDMN Cc1ccc(O)c([C@H](C)N[C@H](COCC(C)C)c2ccco2)c1 ZINC000185288919 1043198642 /nfs/dbraw/zinc/19/86/42/1043198642.db2.gz YFDCKDOEXJVZGE-DOTOQJQBSA-N 0 1 317.429 4.358 20 10 DICDMN Cc1ccc(O)c([C@H](C)NCc2nc(C(C)(C)C)cs2)c1 ZINC000185374177 1043201251 /nfs/dbraw/zinc/20/12/51/1043201251.db2.gz GQZIDBQDTCRBOM-LBPRGKRZSA-N 0 1 304.459 4.305 20 10 DICDMN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186157436 1043216385 /nfs/dbraw/zinc/21/63/85/1043216385.db2.gz MCSSMXWAFLTKMO-VHSXEESVSA-N 0 1 308.809 4.105 20 10 DICDMN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000186766131 1043233548 /nfs/dbraw/zinc/23/35/48/1043233548.db2.gz AKLPEFKDBTZGSE-MWLCHTKSSA-N 0 1 310.850 4.265 20 10 DICDMN CCOCc1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187869622 1043253703 /nfs/dbraw/zinc/25/37/03/1043253703.db2.gz JMMFQEMMFXDOHL-LLVKDONJSA-N 0 1 307.340 4.380 20 10 DICDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(F)ccc1F ZINC000122671635 1043320725 /nfs/dbraw/zinc/32/07/25/1043320725.db2.gz DGCUAZRVXABUFZ-ZDUSSCGKSA-N 0 1 304.384 4.190 20 10 DICDMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N2CCCCC2)cc1 ZINC000271527201 1043432631 /nfs/dbraw/zinc/43/26/31/1043432631.db2.gz QIROGHJPWYCCAN-KXBFYZLASA-N 0 1 324.472 4.128 20 10 DICDMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872133339 1043475856 /nfs/dbraw/zinc/47/58/56/1043475856.db2.gz LWIBJRFZCVHJCQ-NVXWUHKLSA-N 0 1 324.472 4.187 20 10 DICDMN CC(=O)C1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000872797817 1043508201 /nfs/dbraw/zinc/50/82/01/1043508201.db2.gz CQEWSUKMKZWISB-UHFFFAOYSA-N 0 1 323.392 4.093 20 10 DICDMN CCCOc1ccc(CNCc2ccc(Cl)cn2)cc1C ZINC000873101288 1043515811 /nfs/dbraw/zinc/51/58/11/1043515811.db2.gz QZFREHVBDSAJRJ-UHFFFAOYSA-N 0 1 304.821 4.122 20 10 DICDMN CCCOc1ccc(CNC(C)(C)c2c(C)noc2C)cc1C ZINC000873126344 1043516894 /nfs/dbraw/zinc/51/68/94/1043516894.db2.gz FWFQWYBOVDZWKZ-UHFFFAOYSA-N 0 1 316.445 4.414 20 10 DICDMN C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc2ccccc2c1[O-] ZINC000320191385 1043609106 /nfs/dbraw/zinc/60/91/06/1043609106.db2.gz GHJGRJUKWQSPDN-AWEZNQCLSA-N 0 1 307.393 4.144 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(Cl)ccc1[O-] ZINC000927060716 1043675051 /nfs/dbraw/zinc/67/50/51/1043675051.db2.gz FIAZZNCUJUNEFM-XHDPSFHLSA-N 0 1 302.805 4.169 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(Cl)ccc1[O-] ZINC000927063533 1043677221 /nfs/dbraw/zinc/67/72/21/1043677221.db2.gz FIAZZNCUJUNEFM-ABAIWWIYSA-N 0 1 302.805 4.169 20 10 DICDMN C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc2ccccc2c1[O-] ZINC000927101782 1043687468 /nfs/dbraw/zinc/68/74/68/1043687468.db2.gz OJNNPIXPKWWZSE-ZDUSSCGKSA-N 0 1 321.424 4.007 20 10 DICDMN Cc1cc(O)c(CN[C@H](C)c2nccn2-c2ccccc2)cc1C ZINC000290179758 1043927239 /nfs/dbraw/zinc/92/72/39/1043927239.db2.gz RSIRMCKFYKHCGN-MRXNPFEDSA-N 0 1 321.424 4.046 20 10 DICDMN Cc1nc(CN[C@@H](C)c2ccccc2O)sc1C(C)(C)C ZINC000931554034 1044043169 /nfs/dbraw/zinc/04/31/69/1044043169.db2.gz KGOSSKFCRLFOGX-NSHDSACASA-N 0 1 304.459 4.305 20 10 DICDMN CC[C@H](NCc1c(F)cc(F)c(F)c1F)c1ccccc1O ZINC000281233963 1044108289 /nfs/dbraw/zinc/10/82/89/1044108289.db2.gz VYAXHRRDYHKMLC-ZDUSSCGKSA-N 0 1 313.294 4.190 20 10 DICDMN CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000778119711 1044158352 /nfs/dbraw/zinc/15/83/52/1044158352.db2.gz XWBGVTRLWVCJIU-DYVFJYSZSA-N 0 1 311.853 4.119 20 10 DICDMN CCOc1cccc(CN(C)[C@H](C)c2cc(F)ccc2F)c1O ZINC000131568865 1044278062 /nfs/dbraw/zinc/27/80/62/1044278062.db2.gz YIBZHZVYUYOOGF-GFCCVEGCSA-N 0 1 321.367 4.262 20 10 DICDMN CCc1noc(C)c1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000293772665 1044327849 /nfs/dbraw/zinc/32/78/49/1044327849.db2.gz SGBOYRZGUUNMHJ-GFCCVEGCSA-N 0 1 310.397 4.255 20 10 DICDMN CC[C@H]([NH2+]C[C@@H](C)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000840836497 1044356971 /nfs/dbraw/zinc/35/69/71/1044356971.db2.gz ZEXRLHCGMNMQLQ-FZMZJTMJSA-N 0 1 319.367 4.124 20 10 DICDMN C[C@@H](NCc1cccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000296535911 1044624678 /nfs/dbraw/zinc/62/46/78/1044624678.db2.gz QSWASSPBYXAASP-GFCCVEGCSA-N 0 1 323.362 4.017 20 10 DICDMN CC1CCN(c2ccc(CN[C@H]3CCc4cccnc43)cc2)CC1 ZINC000886525150 1044654974 /nfs/dbraw/zinc/65/49/74/1044654974.db2.gz YLDGVOMOLJJTKG-FQEVSTJZSA-N 0 1 321.468 4.095 20 10 DICDMN [O-]c1c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816481718 1044690041 /nfs/dbraw/zinc/69/00/41/1044690041.db2.gz GSVGBPRGZNXWJQ-CQSZACIVSA-N 0 1 309.331 4.320 20 10 DICDMN [O-]c1c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816481718 1044690046 /nfs/dbraw/zinc/69/00/46/1044690046.db2.gz GSVGBPRGZNXWJQ-CQSZACIVSA-N 0 1 309.331 4.320 20 10 DICDMN CC[C@H](N[C@@H](COCC(C)C)c1ccco1)c1ccccc1O ZINC000155538672 1044702406 /nfs/dbraw/zinc/70/24/06/1044702406.db2.gz VVGSWZCYJJQYSU-IRXDYDNUSA-N 0 1 317.429 4.440 20 10 DICDMN CC[N@@H+](Cc1cc(F)ccc1O)[C@H](C)c1cccc(OC)c1 ZINC000778996420 1045110717 /nfs/dbraw/zinc/11/07/17/1045110717.db2.gz OINZXLWJYLIJOQ-CYBMUJFWSA-N 0 1 303.377 4.123 20 10 DICDMN Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccccc1O ZINC000778998042 1045112209 /nfs/dbraw/zinc/11/22/09/1045112209.db2.gz GGAYCTZPGWLFRR-GOSISDBHSA-N 0 1 321.424 4.006 20 10 DICDMN CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N(C)C ZINC000320729513 1045185520 /nfs/dbraw/zinc/18/55/20/1045185520.db2.gz XBVUGKANPOEPBL-DOTOQJQBSA-N 0 1 314.473 4.172 20 10 DICDMN COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000188796045 1045339510 /nfs/dbraw/zinc/33/95/10/1045339510.db2.gz UPDCFVVZQQTGEB-UONOGXRCSA-N 0 1 322.408 4.361 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c1[O-] ZINC000779197441 1045368575 /nfs/dbraw/zinc/36/85/75/1045368575.db2.gz APJNUCWIONQAKS-CHWSQXEVSA-N 0 1 315.388 4.016 20 10 DICDMN CN(Cc1ccsc1C(F)(F)F)Cc1ccccc1O ZINC000529525165 1045490446 /nfs/dbraw/zinc/49/04/46/1045490446.db2.gz PWXKXRAEDPJNGJ-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCOCc1ccccc1 ZINC000113331327 1045561048 /nfs/dbraw/zinc/56/10/48/1045561048.db2.gz UOBZLCNZOYOFGL-UHFFFAOYSA-N 0 1 319.832 4.132 20 10 DICDMN C[C@@H]1CCCN(c2ccc(CNCc3ccco3)cc2Cl)C1 ZINC000800276596 1045601540 /nfs/dbraw/zinc/60/15/40/1045601540.db2.gz OZQZDHRKXNRMMM-CQSZACIVSA-N 0 1 318.848 4.459 20 10 DICDMN C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600131 1045620171 /nfs/dbraw/zinc/62/01/71/1045620171.db2.gz GXKABYRFLJOWRQ-MAUKXSAKSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000751600131 1045620175 /nfs/dbraw/zinc/62/01/75/1045620175.db2.gz GXKABYRFLJOWRQ-MAUKXSAKSA-N 0 1 318.420 4.318 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)c2c1c(F)ccc2[O-] ZINC000800498445 1045635295 /nfs/dbraw/zinc/63/52/95/1045635295.db2.gz KJCMPHRVWNGOFH-XPKDYRNWSA-N 0 1 319.420 4.019 20 10 DICDMN COc1cc(C)cc(CN2CC[C@H]2c2ccc(Cl)cc2)c1O ZINC000754740923 1045922917 /nfs/dbraw/zinc/92/29/17/1045922917.db2.gz JNOMEUQVMALMDI-INIZCTEOSA-N 0 1 317.816 4.310 20 10 DICDMN Cc1cc(CN[C@@H](C)c2ccccn2)ccc1N1CCCCC1 ZINC000828770624 1045932318 /nfs/dbraw/zinc/93/23/18/1045932318.db2.gz BJAPABXGVGTPDP-KRWDZBQOSA-N 0 1 309.457 4.231 20 10 DICDMN COc1cccc([C@@H]2CCCC[N@H+]2Cc2c([O-])cccc2F)c1 ZINC001137837306 1045980835 /nfs/dbraw/zinc/98/08/35/1045980835.db2.gz ANFIUOMGKWDDMV-SFHVURJKSA-N 0 1 315.388 4.267 20 10 DICDMN CCCCN(Cc1nc2c(s1)CCC2)Cc1ccccc1O ZINC000802657822 1046029136 /nfs/dbraw/zinc/02/91/36/1046029136.db2.gz VBZWEHRDZDIWPZ-UHFFFAOYSA-N 0 1 316.470 4.140 20 10 DICDMN C[C@H]([NH2+]CCCOC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000756361442 1046070572 /nfs/dbraw/zinc/07/05/72/1046070572.db2.gz ZICUMABRYKNRPD-ZDUSSCGKSA-N 0 1 311.853 4.436 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(Br)cc1[O-] ZINC000756381104 1046074478 /nfs/dbraw/zinc/07/44/78/1046074478.db2.gz WXBDPWFXNMETLX-WDEREUQCSA-N 0 1 324.218 4.030 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Br)cc1[O-] ZINC000756473656 1046087252 /nfs/dbraw/zinc/08/72/52/1046087252.db2.gz DKQUJBQXMAWUNP-NWDGAFQWSA-N 0 1 310.235 4.162 20 10 DICDMN Cc1ccc([C@H](C)NCc2ccn(-c3ccccc3)n2)c(O)c1C ZINC000756491072 1046089182 /nfs/dbraw/zinc/08/91/82/1046089182.db2.gz SLZRMGYBBUWVII-INIZCTEOSA-N 0 1 321.424 4.046 20 10 DICDMN C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(Cl)ccc1[O-] ZINC000756510123 1046093528 /nfs/dbraw/zinc/09/35/28/1046093528.db2.gz HFXIBOQVEJAKBX-JTQLQIEISA-N 0 1 311.759 4.217 20 10 DICDMN Cc1ccc([C@H](C)NCc2nc(C)c3ccccc3n2)c(O)c1C ZINC000756528568 1046097270 /nfs/dbraw/zinc/09/72/70/1046097270.db2.gz NQUKKJAISFQSTL-AWEZNQCLSA-N 0 1 321.424 4.111 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000756554282 1046098070 /nfs/dbraw/zinc/09/80/70/1046098070.db2.gz ORIJQTBEPUZFBH-STQMWFEESA-N 0 1 317.816 4.263 20 10 DICDMN CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756555053 1046099269 /nfs/dbraw/zinc/09/92/69/1046099269.db2.gz RMGNLTQDQZOERN-ZDUSSCGKSA-N 0 1 318.848 4.353 20 10 DICDMN COC1CCC(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000756643167 1046116281 /nfs/dbraw/zinc/11/62/81/1046116281.db2.gz SSJVQMDKXFDXAL-HPUBIQBYSA-N 0 1 313.441 4.401 20 10 DICDMN Cc1ccc([C@H](C)NCc2nc(C(C)C)cs2)c(O)c1C ZINC000756658250 1046117899 /nfs/dbraw/zinc/11/78/99/1046117899.db2.gz IIRZMPPOPIFIJL-ZDUSSCGKSA-N 0 1 304.459 4.440 20 10 DICDMN COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756706906 1046122496 /nfs/dbraw/zinc/12/24/96/1046122496.db2.gz ITUWPQGAMXZFLY-CHWSQXEVSA-N 0 1 319.832 4.336 20 10 DICDMN C[C@H]([NH2+]CCc1cccc(F)c1F)c1cc(Cl)ccc1[O-] ZINC000756713528 1046122678 /nfs/dbraw/zinc/12/26/78/1046122678.db2.gz VISQJEQKYYPISV-JTQLQIEISA-N 0 1 311.759 4.217 20 10 DICDMN C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(Cl)ccc1[O-] ZINC000756757396 1046126125 /nfs/dbraw/zinc/12/61/25/1046126125.db2.gz BNOFCTZVCNKJSR-GIYVSIDVSA-N 0 1 313.828 4.282 20 10 DICDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)c2c1c(F)ccc2[O-] ZINC000756757221 1046126585 /nfs/dbraw/zinc/12/65/85/1046126585.db2.gz MHUGQYYRXFIDCU-XNRPHZJLSA-N 0 1 321.436 4.265 20 10 DICDMN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756769282 1046129745 /nfs/dbraw/zinc/12/97/45/1046129745.db2.gz DONOWSKAMPCJHT-AUUYWEPGSA-N 0 1 315.457 4.239 20 10 DICDMN COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756785028 1046134197 /nfs/dbraw/zinc/13/41/97/1046134197.db2.gz RRBBQKOINSTQRS-UONOGXRCSA-N 0 1 317.404 4.069 20 10 DICDMN COc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2O)nc1 ZINC000756846708 1046142304 /nfs/dbraw/zinc/14/23/04/1046142304.db2.gz XEXZPZCQUIACJF-QMMMGPOBSA-N 0 1 313.184 4.276 20 10 DICDMN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CCO1 ZINC000756873751 1046147772 /nfs/dbraw/zinc/14/77/72/1046147772.db2.gz JKKBQHWYWLTMFZ-VHDGCEQUSA-N 0 1 311.853 4.290 20 10 DICDMN C[C@H](c1ccccc1)N(Cc1ccno1)Cc1ccccc1O ZINC000757273793 1046171708 /nfs/dbraw/zinc/17/17/08/1046171708.db2.gz GFKQRSDMLVFNJO-OAHLLOKOSA-N 0 1 308.381 4.144 20 10 DICDMN Cc1ccc(O)c([C@H](C)Nc2ccc(CN(C)C)c(F)c2)c1 ZINC000757613550 1046194120 /nfs/dbraw/zinc/19/41/20/1046194120.db2.gz MNLIUZQVRWLQMV-ZDUSSCGKSA-N 0 1 302.393 4.074 20 10 DICDMN C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000903262313 1046210686 /nfs/dbraw/zinc/21/06/86/1046210686.db2.gz CQLGYBWIMKPMOY-ALKREAHSSA-N 0 1 313.441 4.137 20 10 DICDMN C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000903427837 1046276650 /nfs/dbraw/zinc/27/66/50/1046276650.db2.gz AAZAKQQPDVKYEV-DIFFPNOSSA-N 0 1 302.805 4.243 20 10 DICDMN CC(C)Oc1ccc(Cl)cc1CN(C)Cc1ccccc1O ZINC001138961273 1046341266 /nfs/dbraw/zinc/34/12/66/1046341266.db2.gz ATBKCCFZYPOULV-UHFFFAOYSA-N 0 1 319.832 4.465 20 10 DICDMN Cc1cc(O)c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C ZINC000246470175 1046359522 /nfs/dbraw/zinc/35/95/22/1046359522.db2.gz MOAWCKLDTOYNJN-KBXCAEBGSA-N 0 1 317.454 4.033 20 10 DICDMN CCN(CCC(F)(F)F)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000748296453 1046366456 /nfs/dbraw/zinc/36/64/56/1046366456.db2.gz OCEOLRDDWXOQEB-UHFFFAOYSA-N 0 1 319.367 4.170 20 10 DICDMN CN(Cc1ccc(Oc2ccccc2)o1)Cc1ccccc1O ZINC000780756178 1046403871 /nfs/dbraw/zinc/40/38/71/1046403871.db2.gz BZUXMRAHPHTQJS-UHFFFAOYSA-N 0 1 309.365 4.410 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001139683351 1046498617 /nfs/dbraw/zinc/49/86/17/1046498617.db2.gz HNDZYHGRUBVEPD-AWEZNQCLSA-N 0 1 303.352 4.050 20 10 DICDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001139683590 1046498909 /nfs/dbraw/zinc/49/89/09/1046498909.db2.gz NQLRLPMYLFTGHF-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2c(F)ccc(F)c2[O-])c1 ZINC001139685813 1046499451 /nfs/dbraw/zinc/49/94/51/1046499451.db2.gz XYMJFEGTWPXLQU-QGZVFWFLSA-N 0 1 303.352 4.316 20 10 DICDMN CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1O ZINC000092704975 1046557295 /nfs/dbraw/zinc/55/72/95/1046557295.db2.gz UORAMBQBSNESGT-UHFFFAOYSA-N 0 1 321.424 4.195 20 10 DICDMN COc1c(Cl)cccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001140062818 1046582062 /nfs/dbraw/zinc/58/20/62/1046582062.db2.gz IEKLXCKOIAJTHF-UHFFFAOYSA-N 0 1 318.848 4.047 20 10 DICDMN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746303 1046605326 /nfs/dbraw/zinc/60/53/26/1046605326.db2.gz XVNGKWBJQDZUQV-LBPRGKRZSA-N 0 1 305.805 4.295 20 10 DICDMN CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747861 1046613564 /nfs/dbraw/zinc/61/35/64/1046613564.db2.gz FFFZITQXIUBTCV-VXGBXAGGSA-N 0 1 304.821 4.415 20 10 DICDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000093274657 1046620036 /nfs/dbraw/zinc/62/00/36/1046620036.db2.gz QKOFTRPFPIBAPT-ZDUSSCGKSA-N 0 1 303.475 4.019 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC1(c2ccccc2)CC1 ZINC000783700776 1046624474 /nfs/dbraw/zinc/62/44/74/1046624474.db2.gz CFKUJNUHQVJJNW-UHFFFAOYSA-N 0 1 301.817 4.209 20 10 DICDMN Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(Cl)ccc1[O-])CCC2 ZINC000093365000 1046624882 /nfs/dbraw/zinc/62/48/82/1046624882.db2.gz NLSRDPFBVXUMSH-CQSZACIVSA-N 0 1 322.861 4.320 20 10 DICDMN Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(Cl)ccc1[O-])CCC2 ZINC000093365000 1046624891 /nfs/dbraw/zinc/62/48/91/1046624891.db2.gz NLSRDPFBVXUMSH-CQSZACIVSA-N 0 1 322.861 4.320 20 10 DICDMN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc2ccccc2c1[O-] ZINC000248732962 1046634209 /nfs/dbraw/zinc/63/42/09/1046634209.db2.gz PCEUOLMTUHQXTA-DIHFKTGWSA-N 0 1 323.436 4.154 20 10 DICDMN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc2ccccc2c1[O-] ZINC000248732965 1046634253 /nfs/dbraw/zinc/63/42/53/1046634253.db2.gz PCEUOLMTUHQXTA-KORVSZGISA-N 0 1 323.436 4.154 20 10 DICDMN Cc1ccc([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C2)cc1 ZINC000784023715 1046652028 /nfs/dbraw/zinc/65/20/28/1046652028.db2.gz RQNDWKGATZSWJJ-GOSISDBHSA-N 0 1 318.420 4.238 20 10 DICDMN Cc1ccc([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C2)cc1 ZINC000784023715 1046652036 /nfs/dbraw/zinc/65/20/36/1046652036.db2.gz RQNDWKGATZSWJJ-GOSISDBHSA-N 0 1 318.420 4.238 20 10 DICDMN CC[N@H+](Cc1cccc(OC)c1)Cc1c([O-])cccc1Cl ZINC001140341583 1046667609 /nfs/dbraw/zinc/66/76/09/1046667609.db2.gz XHNXGPWZDKVMTA-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@@H+](Cc1cccc(OC)c1)Cc1c([O-])cccc1Cl ZINC001140341583 1046667615 /nfs/dbraw/zinc/66/76/15/1046667615.db2.gz XHNXGPWZDKVMTA-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN COc1cccc([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC001140342709 1046667929 /nfs/dbraw/zinc/66/79/29/1046667929.db2.gz VIBUEELSSCPEOX-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC001140342709 1046667933 /nfs/dbraw/zinc/66/79/33/1046667933.db2.gz VIBUEELSSCPEOX-CQSZACIVSA-N 0 1 317.816 4.044 20 10 DICDMN CC(C)Cn1ccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000795806434 1046678933 /nfs/dbraw/zinc/67/89/33/1046678933.db2.gz ZCTMFMYRJZCVIO-UHFFFAOYSA-N 0 1 312.461 4.142 20 10 DICDMN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000834850800 1046686372 /nfs/dbraw/zinc/68/63/72/1046686372.db2.gz PJPJWBHZHXYXTL-GFCCVEGCSA-N 0 1 304.821 4.069 20 10 DICDMN CC[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000834882265 1046696411 /nfs/dbraw/zinc/69/64/11/1046696411.db2.gz IFVYJXKNNGHSSV-BBRMVZONSA-N 0 1 323.864 4.436 20 10 DICDMN CC(C)[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCO1 ZINC000834885046 1046698330 /nfs/dbraw/zinc/69/83/30/1046698330.db2.gz GCDVVXSDFQYCSO-LNCBFAARSA-N 0 1 321.436 4.120 20 10 DICDMN CC(C)[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000834890197 1046702395 /nfs/dbraw/zinc/70/23/95/1046702395.db2.gz YLQCTOVQJNEWNS-UHFFFAOYSA-N 0 1 306.409 4.351 20 10 DICDMN CC(C)[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000834890197 1046702410 /nfs/dbraw/zinc/70/24/10/1046702410.db2.gz YLQCTOVQJNEWNS-UHFFFAOYSA-N 0 1 306.409 4.351 20 10 DICDMN CCCc1ncc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2[O-])o1 ZINC000834901071 1046711690 /nfs/dbraw/zinc/71/16/90/1046711690.db2.gz WJEQISUHHJTWCX-AWEZNQCLSA-N 0 1 308.809 4.227 20 10 DICDMN CCc1ncc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)o1 ZINC000834901171 1046711843 /nfs/dbraw/zinc/71/18/43/1046711843.db2.gz XVRWNVAAYHSEMG-OAHLLOKOSA-N 0 1 313.445 4.078 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000834908820 1046716268 /nfs/dbraw/zinc/71/62/68/1046716268.db2.gz HMLCIVDTDTYWGY-IUODEOHRSA-N 0 1 311.853 4.292 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1c(O)ccc2ccncc21 ZINC000834956185 1046726451 /nfs/dbraw/zinc/72/64/51/1046726451.db2.gz LASNXHNKVDHKFD-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN C[N@H+](Cc1cccc(Cl)c1)Cc1c([O-])ccc2ccncc21 ZINC000834956185 1046726464 /nfs/dbraw/zinc/72/64/64/1046726464.db2.gz LASNXHNKVDHKFD-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1c([O-])ccc2ccncc21 ZINC000834956185 1046726478 /nfs/dbraw/zinc/72/64/78/1046726478.db2.gz LASNXHNKVDHKFD-UHFFFAOYSA-N 0 1 312.800 4.226 20 10 DICDMN CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(Cl)cc1[O-] ZINC001140464895 1046739074 /nfs/dbraw/zinc/73/90/74/1046739074.db2.gz FNZWFBCMVQNSSZ-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(Cl)cc1[O-] ZINC001140464895 1046739086 /nfs/dbraw/zinc/73/90/86/1046739086.db2.gz FNZWFBCMVQNSSZ-UHFFFAOYSA-N 0 1 305.805 4.076 20 10 DICDMN COc1cccc(CCC[N@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001140465172 1046739164 /nfs/dbraw/zinc/73/91/64/1046739164.db2.gz HSNAFYAHUANNJB-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN COc1cccc(CCC[N@@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001140465172 1046739179 /nfs/dbraw/zinc/73/91/79/1046739179.db2.gz HSNAFYAHUANNJB-UHFFFAOYSA-N 0 1 319.832 4.119 20 10 DICDMN Cc1csc(C(C)(C)NC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835039781 1046746222 /nfs/dbraw/zinc/74/62/22/1046746222.db2.gz LKVWWXYRKSQVGR-SREVYHEPSA-N 0 1 315.486 4.056 20 10 DICDMN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000835039125 1046747828 /nfs/dbraw/zinc/74/78/28/1046747828.db2.gz WNDUZFOBRLAEMI-TUYSUELWSA-N 0 1 315.486 4.272 20 10 DICDMN Cc1c(O)ccc(CN2CCC[C@H]2c2c(F)cccc2F)c1O ZINC001140748164 1046884861 /nfs/dbraw/zinc/88/48/61/1046884861.db2.gz SUBUAITYFWKDNV-HNNXBMFYSA-N 0 1 319.351 4.022 20 10 DICDMN CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ccc(C)cc1O ZINC001140954779 1046962785 /nfs/dbraw/zinc/96/27/85/1046962785.db2.gz YXSMVPQWCLPGKI-SFHVURJKSA-N 0 1 311.425 4.184 20 10 DICDMN Cc1ccc(CN2CCC[C@@H]2c2c(F)cccc2F)c(O)c1 ZINC001140958209 1046963209 /nfs/dbraw/zinc/96/32/09/1046963209.db2.gz TYUYUKZDQRSYBV-MRXNPFEDSA-N 0 1 303.352 4.316 20 10 DICDMN CCC[N@H+](CCCc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000303899946 1047003673 /nfs/dbraw/zinc/00/36/73/1047003673.db2.gz LGAUSCXZZBTRIZ-UHFFFAOYSA-N 0 1 313.441 4.246 20 10 DICDMN CCC[N@@H+](CCCc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000303899946 1047003691 /nfs/dbraw/zinc/00/36/91/1047003691.db2.gz LGAUSCXZZBTRIZ-UHFFFAOYSA-N 0 1 313.441 4.246 20 10 DICDMN Cc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)c(F)c1 ZINC001141194630 1047041680 /nfs/dbraw/zinc/04/16/80/1047041680.db2.gz GTHRPRVJJDMJJT-UHFFFAOYSA-N 0 1 312.432 4.366 20 10 DICDMN C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc2ccccc2c1[O-] ZINC001116565394 1047158132 /nfs/dbraw/zinc/15/81/32/1047158132.db2.gz QUZYJHVAVZPLLM-ZOCIIQOWSA-N 0 1 312.457 4.069 20 10 DICDMN Cc1csc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000387767468 1047284664 /nfs/dbraw/zinc/28/46/64/1047284664.db2.gz BLJXBVOSQQDSCH-CYBMUJFWSA-N 0 1 312.438 4.204 20 10 DICDMN C[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc2ccccc2c1[O-] ZINC001118428518 1047296059 /nfs/dbraw/zinc/29/60/59/1047296059.db2.gz UQCZTXRFGMAUHH-SPGJAERMSA-N 0 1 303.352 4.240 20 10 DICDMN C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000390350935 1047297711 /nfs/dbraw/zinc/29/77/11/1047297711.db2.gz YSTKAEWRXMYJMO-CVEARBPZSA-N 0 1 312.457 4.070 20 10 DICDMN C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000390933136 1047302302 /nfs/dbraw/zinc/30/23/02/1047302302.db2.gz MWKPSOHDDMJIEG-JKSUJKDBSA-N 0 1 312.457 4.070 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])c1 ZINC001142527248 1047308417 /nfs/dbraw/zinc/30/84/17/1047308417.db2.gz PVGQOOFGAPEERZ-KRWDZBQOSA-N 0 1 319.351 4.016 20 10 DICDMN COc1ccc(CC[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000725849446 1047321442 /nfs/dbraw/zinc/32/14/42/1047321442.db2.gz NMKPVWQGHZYODD-ZDUSSCGKSA-N 0 1 319.832 4.165 20 10 DICDMN CCOCc1ccccc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840876273 1047350232 /nfs/dbraw/zinc/35/02/32/1047350232.db2.gz UIFKVNBDJWAOQS-UHFFFAOYSA-N 0 1 319.832 4.180 20 10 DICDMN CC[C@H]([NH2+]C1CCC(COC)CC1)c1cc(Cl)ccc1[O-] ZINC000840875636 1047351925 /nfs/dbraw/zinc/35/19/25/1047351925.db2.gz HZKXHWVYSDRGNM-PXCJXSSVSA-N 0 1 311.853 4.292 20 10 DICDMN CCOc1ccccc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840883684 1047352857 /nfs/dbraw/zinc/35/28/57/1047352857.db2.gz HJHCFPZHSZTTPA-UHFFFAOYSA-N 0 1 305.805 4.043 20 10 DICDMN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(Cl)ccc1[O-] ZINC000840891488 1047354327 /nfs/dbraw/zinc/35/43/27/1047354327.db2.gz HUNSMGGVNDCIOG-GFCCVEGCSA-N 0 1 304.821 4.069 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOc3c(C)cccc32)c(Cl)c1 ZINC000840887365 1047355657 /nfs/dbraw/zinc/35/56/57/1047355657.db2.gz LIWWWVKSWUAKPD-MRXNPFEDSA-N 0 1 317.816 4.276 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c(Cl)c1 ZINC000840906418 1047359660 /nfs/dbraw/zinc/35/96/60/1047359660.db2.gz HCHMNSQWKCECIE-BLLLJJGKSA-N 0 1 311.853 4.037 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000840948265 1047362754 /nfs/dbraw/zinc/36/27/54/1047362754.db2.gz SNBVFPPUARQRPK-LJQANCHMSA-N 0 1 309.457 4.039 20 10 DICDMN COc1c2ccccc2oc1CNCc1ccc(N(C)C)cc1C ZINC000840942049 1047364370 /nfs/dbraw/zinc/36/43/70/1047364370.db2.gz QNCHTEUJCRPZHG-UHFFFAOYSA-N 0 1 324.424 4.106 20 10 DICDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000841744486 1047447207 /nfs/dbraw/zinc/44/72/07/1047447207.db2.gz HYWOCFKLFIQXJM-SJKOYZFVSA-N 0 1 305.805 4.084 20 10 DICDMN CCOc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745648 1047448301 /nfs/dbraw/zinc/44/83/01/1047448301.db2.gz RTNCSZVWWYSTLC-GFCCVEGCSA-N 0 1 305.805 4.295 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1[O-] ZINC000841750880 1047450013 /nfs/dbraw/zinc/45/00/13/1047450013.db2.gz KAXHMYJPMZWAIR-WDEREUQCSA-N 0 1 320.776 4.366 20 10 DICDMN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])CO2 ZINC000841751124 1047450332 /nfs/dbraw/zinc/45/03/32/1047450332.db2.gz KVVQIWWRHBFGIO-NHYWBVRUSA-N 0 1 303.789 4.138 20 10 DICDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc(Cl)cc1O ZINC000841755257 1047452230 /nfs/dbraw/zinc/45/22/30/1047452230.db2.gz YKRYONTYFFCBAJ-LLVKDONJSA-N 0 1 322.811 4.419 20 10 DICDMN CSc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841760159 1047453224 /nfs/dbraw/zinc/45/32/24/1047453224.db2.gz RIMJTVZFIVFGQF-SNVBAGLBSA-N 0 1 308.834 4.013 20 10 DICDMN CSc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841760158 1047453579 /nfs/dbraw/zinc/45/35/79/1047453579.db2.gz RIMJTVZFIVFGQF-JTQLQIEISA-N 0 1 308.834 4.013 20 10 DICDMN CC[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000841758219 1047453637 /nfs/dbraw/zinc/45/36/37/1047453637.db2.gz ABMBTAMHNZWALI-DLBZAZTESA-N 0 1 317.816 4.358 20 10 DICDMN C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1[O-] ZINC000841758003 1047453673 /nfs/dbraw/zinc/45/36/73/1047453673.db2.gz QXHOGJHTYPQFHN-WDEREUQCSA-N 0 1 320.776 4.366 20 10 DICDMN Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841757281 1047453683 /nfs/dbraw/zinc/45/36/83/1047453683.db2.gz NCLWZBAMKHKDKT-SNUQEOBHSA-N 0 1 319.832 4.127 20 10 DICDMN COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841760598 1047453708 /nfs/dbraw/zinc/45/37/08/1047453708.db2.gz SYCCRRZIVDXZAP-BZNIZROVSA-N 0 1 317.816 4.392 20 10 DICDMN CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758501 1047453718 /nfs/dbraw/zinc/45/37/18/1047453718.db2.gz GUFQRWDBJGNQIW-ZDUSSCGKSA-N 0 1 318.848 4.353 20 10 DICDMN CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841762970 1047455150 /nfs/dbraw/zinc/45/51/50/1047455150.db2.gz LBHMKRJONVARIC-NEPJUHHUSA-N 0 1 307.825 4.235 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001142531288 1047465487 /nfs/dbraw/zinc/46/54/87/1047465487.db2.gz SIHKMYFHZCNSQK-UHFFFAOYSA-N 0 1 303.352 4.225 20 10 DICDMN CCN(C)c1ccc([C@@H](C)NC2(c3ccccc3OC)CC2)cc1 ZINC000842900093 1047512239 /nfs/dbraw/zinc/51/22/39/1047512239.db2.gz FHSSBRHZEAVPSA-MRXNPFEDSA-N 0 1 324.468 4.491 20 10 DICDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(C(C)(C)C)c1O ZINC001143112749 1047532148 /nfs/dbraw/zinc/53/21/48/1047532148.db2.gz YPGGXRJQPTVQCI-UHFFFAOYSA-N 0 1 318.848 4.370 20 10 DICDMN CN(Cc1ccc(Cl)nc1)Cc1cccc(C(C)(C)C)c1O ZINC001143112749 1047532156 /nfs/dbraw/zinc/53/21/56/1047532156.db2.gz YPGGXRJQPTVQCI-UHFFFAOYSA-N 0 1 318.848 4.370 20 10 DICDMN CC(C)(C)c1cccc(CN2CCC[C@@H]2c2nccs2)c1O ZINC001143111508 1047532588 /nfs/dbraw/zinc/53/25/88/1047532588.db2.gz CFOLJGRDYOHUGJ-OAHLLOKOSA-N 0 1 316.470 4.483 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001204381222 1047620905 /nfs/dbraw/zinc/62/09/05/1047620905.db2.gz ATAOWSCICDBIPA-KRWDZBQOSA-N 0 1 319.807 4.392 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001204381222 1047620908 /nfs/dbraw/zinc/62/09/08/1047620908.db2.gz ATAOWSCICDBIPA-KRWDZBQOSA-N 0 1 319.807 4.392 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000927035074 1047764695 /nfs/dbraw/zinc/76/46/95/1047764695.db2.gz ZYUUVIWTHYTHJX-NFAWXSAZSA-N 0 1 301.455 4.480 20 10 DICDMN CN(Cc1ccc(O)c(O)c1)Cc1cc(Cl)cc(Cl)c1 ZINC001203883386 1047875917 /nfs/dbraw/zinc/87/59/17/1047875917.db2.gz JQGDIGBNKMQULK-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN CC[C@@H](NCc1c(C)c2ccccc2n1C)c1ccc(F)cn1 ZINC000479443629 1047893515 /nfs/dbraw/zinc/89/35/15/1047893515.db2.gz ZCSSBDAMIRRRCI-MRXNPFEDSA-N 0 1 311.404 4.262 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)ccc2ccccc21 ZINC001183157045 1047903350 /nfs/dbraw/zinc/90/33/50/1047903350.db2.gz QQDVFBFWMSTJEE-KRWDZBQOSA-N 0 1 319.404 4.241 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)ccc2ccccc21 ZINC001183157045 1047903359 /nfs/dbraw/zinc/90/33/59/1047903359.db2.gz QQDVFBFWMSTJEE-KRWDZBQOSA-N 0 1 319.404 4.241 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1[O-] ZINC000160741147 1047967082 /nfs/dbraw/zinc/96/70/82/1047967082.db2.gz IDFDJGWMVCFGBG-CYBMUJFWSA-N 0 1 309.837 4.116 20 10 DICDMN CC(C)Oc1ccnc(NCc2cc3ccccc3cc2O)c1 ZINC001160207465 1047997458 /nfs/dbraw/zinc/99/74/58/1047997458.db2.gz SBIMDBMMDODHCE-UHFFFAOYSA-N 0 1 308.381 4.340 20 10 DICDMN CC1(C)CCNc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC001160332422 1048035721 /nfs/dbraw/zinc/03/57/21/1048035721.db2.gz OCLPTBPZLRRRPQ-UHFFFAOYSA-N 0 1 313.357 4.137 20 10 DICDMN Cc1cc(CN2CC(C)(C)[C@H]2c2cccnc2)ccc1N(C)C ZINC001174983544 1048080701 /nfs/dbraw/zinc/08/07/01/1048080701.db2.gz IUGUPORGJDBLFY-LJQANCHMSA-N 0 1 309.457 4.039 20 10 DICDMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000776013666 1048088588 /nfs/dbraw/zinc/08/85/88/1048088588.db2.gz MXCBWDZYUQZNPQ-YPMHNXCESA-N 0 1 318.358 4.055 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CCc2ccccc2Cl)c(Cl)c1 ZINC001199884917 1048114651 /nfs/dbraw/zinc/11/46/51/1048114651.db2.gz ZFYYPUCFLQAAOS-UHFFFAOYSA-N 0 1 310.224 4.340 20 10 DICDMN COc1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1C ZINC001201733749 1048372557 /nfs/dbraw/zinc/37/25/57/1048372557.db2.gz AIVCGRZPIVDSSF-KRWDZBQOSA-N 0 1 315.388 4.146 20 10 DICDMN CCc1ccc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cc1 ZINC001201813141 1048375317 /nfs/dbraw/zinc/37/53/17/1048375317.db2.gz CDWJSEGKQVMMCN-CYBMUJFWSA-N 0 1 318.411 4.444 20 10 DICDMN CCCN(Cc1cc(Cl)cc(F)c1[O-])c1ccc(C[NH3+])cc1 ZINC000775139705 1048428306 /nfs/dbraw/zinc/42/83/06/1048428306.db2.gz FFUHPLQBMLSCKQ-UHFFFAOYSA-N 0 1 322.811 4.060 20 10 DICDMN CCN(C)c1ccc(CN2CCc3cc(F)ccc3[C@H]2C)cc1 ZINC001175882725 1048471232 /nfs/dbraw/zinc/47/12/32/1048471232.db2.gz KLMCQDYMEOVTPU-OAHLLOKOSA-N 0 1 312.432 4.401 20 10 DICDMN C[C@@H](NCc1ccccc1O)c1nc(-c2ccccc2)cs1 ZINC000107321742 1048579503 /nfs/dbraw/zinc/57/95/03/1048579503.db2.gz VWQQWTVFKGLYRT-CYBMUJFWSA-N 0 1 310.422 4.367 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365517 1048640879 /nfs/dbraw/zinc/64/08/79/1048640879.db2.gz RTMRMSGFYKSIKB-UHFFFAOYSA-N 0 1 321.779 4.016 20 10 DICDMN Oc1cccc(Cl)c1CNCc1cccc(OC2CC2)c1F ZINC000850365517 1048640884 /nfs/dbraw/zinc/64/08/84/1048640884.db2.gz RTMRMSGFYKSIKB-UHFFFAOYSA-N 0 1 321.779 4.016 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000850481070 1048669512 /nfs/dbraw/zinc/66/95/12/1048669512.db2.gz HEHBPUGJNUEYOD-GOEBONIOSA-N 0 1 312.457 4.069 20 10 DICDMN CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1cc(Cl)ccc1[O-] ZINC000850482371 1048671454 /nfs/dbraw/zinc/67/14/54/1048671454.db2.gz OVMTWXJUODDKGZ-IUODEOHRSA-N 0 1 304.821 4.285 20 10 DICDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(Cl)ccc1[O-] ZINC000850527548 1048680803 /nfs/dbraw/zinc/68/08/03/1048680803.db2.gz GUQCHYDSZQSAHG-XYJFISCASA-N 0 1 317.816 4.265 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(Cl)cc1[O-] ZINC000850542172 1048687345 /nfs/dbraw/zinc/68/73/45/1048687345.db2.gz ISULCAOYSQJKBY-MGPLVRAMSA-N 0 1 303.789 4.089 20 10 DICDMN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc2ccccc2c1[O-] ZINC000850553099 1048689427 /nfs/dbraw/zinc/68/94/27/1048689427.db2.gz RSBLZAZPVFMOCD-XHDPSFHLSA-N 0 1 305.368 4.487 20 10 DICDMN C[C@@H]([NH2+]CCC1SCCS1)c1ccc2ccccc2c1[O-] ZINC000850570836 1048697888 /nfs/dbraw/zinc/69/78/88/1048697888.db2.gz MRBXIEZQCHRQEM-GFCCVEGCSA-N 0 1 319.495 4.392 20 10 DICDMN COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1C ZINC000850579760 1048702195 /nfs/dbraw/zinc/70/21/95/1048702195.db2.gz ZWENSTQQACTYLW-GFCCVEGCSA-N 0 1 305.805 4.213 20 10 DICDMN COCCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCCC1 ZINC000775373859 1048715670 /nfs/dbraw/zinc/71/56/70/1048715670.db2.gz DGRZGLOXBUOVOR-UHFFFAOYSA-N 0 1 311.853 4.122 20 10 DICDMN CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776498589 1048723147 /nfs/dbraw/zinc/72/31/47/1048723147.db2.gz OQCSGXDNVFCKGJ-PIGZYNQJSA-N 0 1 323.795 4.051 20 10 DICDMN CCN(CC)c1ccc(CNCc2nccc3c2CCCC3)cc1 ZINC001177328897 1048873285 /nfs/dbraw/zinc/87/32/85/1048873285.db2.gz UVIANHWCAFSUDF-UHFFFAOYSA-N 0 1 323.484 4.096 20 10 DICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCCO2 ZINC000853094751 1048882900 /nfs/dbraw/zinc/88/29/00/1048882900.db2.gz MQIBXTBUXVBSAZ-LBPRGKRZSA-N 0 1 317.816 4.221 20 10 DICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001203581042 1048934780 /nfs/dbraw/zinc/93/47/80/1048934780.db2.gz ZIMHFJPYGKISSC-GFCCVEGCSA-N 0 1 323.223 4.084 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001203651855 1048948749 /nfs/dbraw/zinc/94/87/49/1048948749.db2.gz YHQJWKUWSPRJPU-UHFFFAOYSA-N 0 1 301.764 4.057 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203657788 1048950186 /nfs/dbraw/zinc/95/01/86/1048950186.db2.gz NJSLCCZNYIBBGO-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203657788 1048950198 /nfs/dbraw/zinc/95/01/98/1048950198.db2.gz NJSLCCZNYIBBGO-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203657523 1048951652 /nfs/dbraw/zinc/95/16/52/1048951652.db2.gz LVXBDWXVCWWZSQ-MRXNPFEDSA-N 0 1 317.816 4.007 20 10 DICDMN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC001203657523 1048951665 /nfs/dbraw/zinc/95/16/65/1048951665.db2.gz LVXBDWXVCWWZSQ-MRXNPFEDSA-N 0 1 317.816 4.007 20 10 DICDMN CCN(Cc1cc(Cl)ccc1O)Cc1cccc(F)c1F ZINC001203664444 1048953514 /nfs/dbraw/zinc/95/35/14/1048953514.db2.gz FNCLMUAJAREMDH-UHFFFAOYSA-N 0 1 311.759 4.346 20 10 DICDMN COc1cccc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001203664726 1048954220 /nfs/dbraw/zinc/95/42/20/1048954220.db2.gz SHJGSXAEIGRPOC-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN COc1cccc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC001203664726 1048954231 /nfs/dbraw/zinc/95/42/31/1048954231.db2.gz SHJGSXAEIGRPOC-AWEZNQCLSA-N 0 1 317.816 4.044 20 10 DICDMN CC[C@@](C)(NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC001177885809 1048958329 /nfs/dbraw/zinc/95/83/29/1048958329.db2.gz SYVVPKSRXKQXPS-LJQANCHMSA-N 0 1 318.411 4.446 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1c(F)cccc1Cl ZINC001177977265 1048977008 /nfs/dbraw/zinc/97/70/08/1048977008.db2.gz WEDNSWDXXGBPLG-UHFFFAOYSA-N 0 1 314.187 4.170 20 10 DICDMN CC[C@H]([NH2+]CCc1ccc(O)cc1)c1cc(Cl)ccc1[O-] ZINC000775491139 1049012929 /nfs/dbraw/zinc/01/29/29/1049012929.db2.gz YVGZWWIOLRCNEP-INIZCTEOSA-N 0 1 305.805 4.035 20 10 DICDMN CC[C@@H]([NH2+]CCc1nc(C)cs1)c1cc(Cl)ccc1[O-] ZINC000775492047 1049017581 /nfs/dbraw/zinc/01/75/81/1049017581.db2.gz KXRIGRKBKOIISW-CYBMUJFWSA-N 0 1 310.850 4.094 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](OC)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775493877 1049025230 /nfs/dbraw/zinc/02/52/30/1049025230.db2.gz VYLIAEZCUZAJLJ-AEFFLSMTSA-N 0 1 319.832 4.474 20 10 DICDMN Cc1ccc(O)c(CNCc2csc(-c3ccccc3)n2)c1 ZINC000113329433 1049033544 /nfs/dbraw/zinc/03/35/44/1049033544.db2.gz WQALBBVWQNXXPF-UHFFFAOYSA-N 0 1 310.422 4.114 20 10 DICDMN CCc1cnc(CC[NH2+][C@H](CC)c2cc(Cl)ccc2[O-])s1 ZINC000775508056 1049046671 /nfs/dbraw/zinc/04/66/71/1049046671.db2.gz HHRUCQZQKIZUIK-CQSZACIVSA-N 0 1 324.877 4.348 20 10 DICDMN CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1cc(Cl)ccc1[O-] ZINC000775503913 1049047798 /nfs/dbraw/zinc/04/77/98/1049047798.db2.gz PRQNUSZLJZQDOI-AEFFLSMTSA-N 0 1 319.832 4.128 20 10 DICDMN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000775513538 1049049373 /nfs/dbraw/zinc/04/93/73/1049049373.db2.gz LACQCIHVUZCOFU-JWDQPFGJSA-N 0 1 309.837 4.044 20 10 DICDMN CC[C@H]([NH2+]CC1(CCOC)CCC1)c1cc(Cl)ccc1[O-] ZINC000775513405 1049051762 /nfs/dbraw/zinc/05/17/62/1049051762.db2.gz IDYMKORNDRFBDJ-HNNXBMFYSA-N 0 1 311.853 4.293 20 10 DICDMN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775512453 1049058011 /nfs/dbraw/zinc/05/80/11/1049058011.db2.gz PRNFZSZMDKRQFI-USXIJHARSA-N 0 1 311.853 4.028 20 10 DICDMN CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000775520696 1049072083 /nfs/dbraw/zinc/07/20/83/1049072083.db2.gz VTRQBSLYHNKQLC-AWEZNQCLSA-N 0 1 320.776 4.195 20 10 DICDMN CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775521803 1049080333 /nfs/dbraw/zinc/08/03/33/1049080333.db2.gz BCGNBGSHQCYHNW-DZGCQCFKSA-N 0 1 309.837 4.188 20 10 DICDMN CO[C@@](C)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)c1ccccc1 ZINC001178762499 1049085587 /nfs/dbraw/zinc/08/55/87/1049085587.db2.gz MPOLSMHQNDASJK-SFHVURJKSA-N 0 1 319.832 4.005 20 10 DICDMN CC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cc(Cl)ccc1[O-] ZINC000775526350 1049094930 /nfs/dbraw/zinc/09/49/30/1049094930.db2.gz QYZIMNGCJBOUDB-INIZCTEOSA-N 0 1 323.795 4.434 20 10 DICDMN CC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000775527689 1049096732 /nfs/dbraw/zinc/09/67/32/1049096732.db2.gz SMVYBSWEISVLDL-JKSUJKDBSA-N 0 1 311.853 4.028 20 10 DICDMN CCN(C)c1ccc(CNC2(c3nccs3)CCCC2)cc1 ZINC000773779711 1049104227 /nfs/dbraw/zinc/10/42/27/1049104227.db2.gz FYNOAVZNMMTURY-UHFFFAOYSA-N 0 1 315.486 4.158 20 10 DICDMN CCN(C)c1ccc(CN[C@@](C)(CC)c2nc(C)cs2)cc1 ZINC000773787366 1049115838 /nfs/dbraw/zinc/11/58/38/1049115838.db2.gz OMPBEMJWLONTMP-SFHVURJKSA-N 0 1 317.502 4.323 20 10 DICDMN C[C@H]1c2cccn2CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240357 1049118503 /nfs/dbraw/zinc/11/85/03/1049118503.db2.gz PXAFSVHCYNWIOR-INIZCTEOSA-N 0 1 319.452 4.284 20 10 DICDMN C[C@@H]1c2cccn2CCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204240358 1049118752 /nfs/dbraw/zinc/11/87/52/1049118752.db2.gz PXAFSVHCYNWIOR-MRXNPFEDSA-N 0 1 319.452 4.284 20 10 DICDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccco2)C1 ZINC001204270099 1049124995 /nfs/dbraw/zinc/12/49/95/1049124995.db2.gz IWQFVCZVRIZATP-IAQYHMDHSA-N 0 1 307.340 4.237 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H](c2ccco2)C1 ZINC001204270100 1049125744 /nfs/dbraw/zinc/12/57/44/1049125744.db2.gz IWQFVCZVRIZATP-NHYWBVRUSA-N 0 1 307.340 4.237 20 10 DICDMN COc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1F ZINC000690018721 1049128697 /nfs/dbraw/zinc/12/86/97/1049128697.db2.gz BKCDZKSRQXXMDN-UHFFFAOYSA-N 0 1 316.159 4.459 20 10 DICDMN CC[C@H]([NH2+][C@@H](CCOC)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775546767 1049136158 /nfs/dbraw/zinc/13/61/58/1049136158.db2.gz KZOUZXZWDBSWCI-GJZGRUSLSA-N 0 1 323.820 4.457 20 10 DICDMN CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775550826 1049142917 /nfs/dbraw/zinc/14/29/17/1049142917.db2.gz CGJKTJWGKSVHKH-ZENOOKHLSA-N 0 1 311.853 4.292 20 10 DICDMN Cc1ccc2[nH]c(NC/C=C/c3ccc(N(C)C)cc3)nc2c1 ZINC001179442980 1049166311 /nfs/dbraw/zinc/16/63/11/1049166311.db2.gz JVEKIZNMHLZWKX-SNAWJCMRSA-N 0 1 306.413 4.063 20 10 DICDMN CCN(C)c1ccc(CN[C@@H](C)c2c(F)cccc2OC)cc1 ZINC000773813798 1049171057 /nfs/dbraw/zinc/17/10/57/1049171057.db2.gz WEVBOFZEOIKUMK-AWEZNQCLSA-N 0 1 316.420 4.141 20 10 DICDMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001193462624 1049212394 /nfs/dbraw/zinc/21/23/94/1049212394.db2.gz WVTXJOCJBBNUKM-CXAGYDPISA-N 0 1 307.409 4.135 20 10 DICDMN Cc1ccc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858107228 1049217320 /nfs/dbraw/zinc/21/73/20/1049217320.db2.gz KECGRTGZEJLFEE-NSHDSACASA-N 0 1 310.413 4.252 20 10 DICDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001179855619 1049218359 /nfs/dbraw/zinc/21/83/59/1049218359.db2.gz XQOYUIRMKGPTOK-LLVKDONJSA-N 0 1 305.780 4.304 20 10 DICDMN COc1ccc(CNCc2ccsc2C(F)(F)F)cc1C ZINC000858120807 1049220575 /nfs/dbraw/zinc/22/05/75/1049220575.db2.gz MVMJNKBZUHSBAC-UHFFFAOYSA-N 0 1 315.360 4.374 20 10 DICDMN Cc1cc(CNCc2cnn(C(C)C)c2)c(C)n1-c1ccccc1 ZINC000858292707 1049237176 /nfs/dbraw/zinc/23/71/76/1049237176.db2.gz DJCJLSZYDJDYIG-UHFFFAOYSA-N 0 1 322.456 4.161 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC001180029875 1049261383 /nfs/dbraw/zinc/26/13/83/1049261383.db2.gz GTCAPGZNLOYPEF-LLVKDONJSA-N 0 1 312.251 4.085 20 10 DICDMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001180133539 1049280204 /nfs/dbraw/zinc/28/02/04/1049280204.db2.gz XUGGZRLISZTQTJ-LJQANCHMSA-N 0 1 317.379 4.224 20 10 DICDMN Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001180142326 1049283366 /nfs/dbraw/zinc/28/33/66/1049283366.db2.gz MXXHATPCCIRZAE-DZGCQCFKSA-N 0 1 317.379 4.357 20 10 DICDMN CN(C)c1cc(F)c(CN2CCC[C@@H]2c2ccccc2)cc1F ZINC001205039260 1049349829 /nfs/dbraw/zinc/34/98/29/1049349829.db2.gz JAPGYFMBAOYKRL-GOSISDBHSA-N 0 1 316.395 4.368 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCc2ccccc21 ZINC001180422043 1049360250 /nfs/dbraw/zinc/36/02/50/1049360250.db2.gz CBEVFGLRCKBULM-QGZVFWFLSA-N 0 1 303.352 4.180 20 10 DICDMN Cc1cc(CN[C@H](C)c2ccns2)ccc1N1CCCCC1 ZINC000860061750 1049365331 /nfs/dbraw/zinc/36/53/31/1049365331.db2.gz NGWQVOOPWDOIHR-OAHLLOKOSA-N 0 1 315.486 4.293 20 10 DICDMN CN(Cc1ccccc1Cl)Cc1c(O)ccc(Cl)c1F ZINC001180531012 1049374189 /nfs/dbraw/zinc/37/41/89/1049374189.db2.gz BELUWZVPLCULPZ-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN Cc1cccc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC001180819659 1049409729 /nfs/dbraw/zinc/40/97/29/1049409729.db2.gz JIYYGSJLWGLXMH-AWEZNQCLSA-N 0 1 319.807 4.483 20 10 DICDMN Cc1cccc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC001180819660 1049410072 /nfs/dbraw/zinc/41/00/72/1049410072.db2.gz JIYYGSJLWGLXMH-CQSZACIVSA-N 0 1 319.807 4.483 20 10 DICDMN CCCC[N@H+](Cc1ccc(F)c(F)c1[O-])Cc1ccccc1O ZINC001181184134 1049449790 /nfs/dbraw/zinc/44/97/90/1049449790.db2.gz DNSPGOQJDQWBBD-UHFFFAOYSA-N 0 1 321.367 4.178 20 10 DICDMN COc1cc(C)c(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c(O)c1 ZINC001205394814 1049459146 /nfs/dbraw/zinc/45/91/46/1049459146.db2.gz ZMDJQFZKZIRUTA-KRWDZBQOSA-N 0 1 311.425 4.007 20 10 DICDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(Cl)c1[O-] ZINC000775637258 1049476134 /nfs/dbraw/zinc/47/61/34/1049476134.db2.gz MQZACGJMYSLTBD-UHFFFAOYSA-N 0 1 318.848 4.134 20 10 DICDMN CCCC[N@H+](Cc1ccccc1O)Cc1ccc([O-])c(F)c1F ZINC001205513027 1049489127 /nfs/dbraw/zinc/48/91/27/1049489127.db2.gz ARYYJYPKYAWBOW-UHFFFAOYSA-N 0 1 321.367 4.178 20 10 DICDMN CCCC[N@@H+](Cc1ccccc1O)Cc1ccc([O-])c(F)c1F ZINC001205513027 1049489136 /nfs/dbraw/zinc/48/91/36/1049489136.db2.gz ARYYJYPKYAWBOW-UHFFFAOYSA-N 0 1 321.367 4.178 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC001205526778 1049490632 /nfs/dbraw/zinc/49/06/32/1049490632.db2.gz IEULZNXNCLOVMS-UHFFFAOYSA-N 0 1 324.262 4.228 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1Cl ZINC000862477462 1049495686 /nfs/dbraw/zinc/49/56/86/1049495686.db2.gz KPGAOKDYFKBSQJ-SFHVURJKSA-N 0 1 316.832 4.380 20 10 DICDMN COc1ccc(C[N@@H+](Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775644893 1049497726 /nfs/dbraw/zinc/49/77/26/1049497726.db2.gz WVCNAZVTTSEXSB-UHFFFAOYSA-N 0 1 317.816 4.219 20 10 DICDMN C[C@@H](c1ccccc1)[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001181656658 1049501575 /nfs/dbraw/zinc/50/15/75/1049501575.db2.gz SZDGWJTWKZXVNF-LBPRGKRZSA-N 0 1 303.352 4.396 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1[O-] ZINC001195307270 1049514957 /nfs/dbraw/zinc/51/49/57/1049514957.db2.gz QVNJPDMEGJHYIN-CQSZACIVSA-N 0 1 321.848 4.260 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1[O-] ZINC001195307270 1049514971 /nfs/dbraw/zinc/51/49/71/1049514971.db2.gz QVNJPDMEGJHYIN-CQSZACIVSA-N 0 1 321.848 4.260 20 10 DICDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](C)c1cccc(O)c1 ZINC000775655707 1049533347 /nfs/dbraw/zinc/53/33/47/1049533347.db2.gz JWKOFKPVUHYUMQ-LLVKDONJSA-N 0 1 323.795 4.473 20 10 DICDMN C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775657635 1049534168 /nfs/dbraw/zinc/53/41/68/1049534168.db2.gz DKYZJMLEAYXDLC-GFCCVEGCSA-N 0 1 303.789 4.001 20 10 DICDMN Cc1cc(N(C)C)ccc1CN1CCc2cccc(Cl)c2C1 ZINC001182272321 1049598399 /nfs/dbraw/zinc/59/83/99/1049598399.db2.gz QDSFXRJGDMTYBE-UHFFFAOYSA-N 0 1 314.860 4.273 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001205907575 1049598581 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Cc1ccc(C)n1-c1ccc(CN2CC3(C2)CC(F)(F)C3)cc1 ZINC001209517738 1050066240 /nfs/dbraw/zinc/06/62/40/1050066240.db2.gz FUZARXLQKSAAOP-UHFFFAOYSA-N 0 1 316.395 4.325 20 10 DICDMN Cc1ccc(C)n1-c1ccc(CN2CCc3ccncc3C2)cc1 ZINC001209518670 1050066513 /nfs/dbraw/zinc/06/65/13/1050066513.db2.gz QSQPVCLYTIUWJV-UHFFFAOYSA-N 0 1 317.436 4.047 20 10 DICDMN Oc1ccccc1CN(Cc1ncc(C2CC2)o1)C1CCCC1 ZINC000760841074 1050172106 /nfs/dbraw/zinc/17/21/06/1050172106.db2.gz QJVCFYHTMGJWHN-UHFFFAOYSA-N 0 1 312.413 4.202 20 10 DICDMN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(Cl)ccc1[O-] ZINC000282652431 1050172280 /nfs/dbraw/zinc/17/22/80/1050172280.db2.gz ICQLYUUNTWNFCB-WBMJQRKESA-N 0 1 309.837 4.046 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000824484048 1050212877 /nfs/dbraw/zinc/21/28/77/1050212877.db2.gz YVDBAOSEACJPHJ-LBPRGKRZSA-N 0 1 305.830 4.025 20 10 DICDMN CC[C@H]([NH2+]Cc1ccnc(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824596047 1050227495 /nfs/dbraw/zinc/22/74/95/1050227495.db2.gz 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Cc1ncc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)o1 ZINC001354468992 1053876504 /nfs/dbraw/zinc/87/65/04/1053876504.db2.gz KPLJHKYQLKLOFG-HNNXBMFYSA-N 0 1 322.408 4.452 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C2CCC(C(F)F)CC2)cc1Cl ZINC001327881848 1053889196 /nfs/dbraw/zinc/88/91/96/1053889196.db2.gz UKFXMZQIOJKNKN-UHFFFAOYSA-N 0 1 303.780 4.268 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc1Cl ZINC001231870250 1053900468 /nfs/dbraw/zinc/90/04/68/1053900468.db2.gz PQXPOHSRKSTYGO-UHFFFAOYSA-N 0 1 311.828 4.458 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCCC3(CC(F)C3)CC2)cc1Cl ZINC001231870250 1053900472 /nfs/dbraw/zinc/90/04/72/1053900472.db2.gz PQXPOHSRKSTYGO-UHFFFAOYSA-N 0 1 311.828 4.458 20 10 DICDMN CN(Cc1cnc(Cl)s1)Cc1ccc2ccccc2c1O ZINC001231879604 1053901388 /nfs/dbraw/zinc/90/13/88/1053901388.db2.gz KEGDXCUIMXCFNJ-UHFFFAOYSA-N 0 1 318.829 4.287 20 10 DICDMN [O-]c1c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)ccc2ccccc21 ZINC001231878740 1053901883 /nfs/dbraw/zinc/90/18/83/1053901883.db2.gz RMVBBIGMDPFEBP-OAHLLOKOSA-N 0 1 309.331 4.115 20 10 DICDMN [O-]c1c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccc2ccccc21 ZINC001231878740 1053901888 /nfs/dbraw/zinc/90/18/88/1053901888.db2.gz RMVBBIGMDPFEBP-OAHLLOKOSA-N 0 1 309.331 4.115 20 10 DICDMN Cc1ccc2c(c1)C[N@@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001231879609 1053902912 /nfs/dbraw/zinc/90/29/12/1053902912.db2.gz KJAJIUOAFFNQLY-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN Cc1ccc2c(c1)C[N@H+](Cc1ccc3ccccc3c1[O-])CC2 ZINC001231879609 1053902919 /nfs/dbraw/zinc/90/29/19/1053902919.db2.gz KJAJIUOAFFNQLY-UHFFFAOYSA-N 0 1 303.405 4.412 20 10 DICDMN COc1ccc2c(c1)CN(Cc1ccc3ccccc3c1O)C2 ZINC001231880712 1053906628 /nfs/dbraw/zinc/90/66/28/1053906628.db2.gz FBDJDZXCYJUPEZ-UHFFFAOYSA-N 0 1 305.377 4.070 20 10 DICDMN C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cc(Cl)ccc1[O-] ZINC001328098298 1053907822 /nfs/dbraw/zinc/90/78/22/1053907822.db2.gz PXQMQIWAWCNCTQ-YPWHJJHSSA-N 0 1 301.764 4.130 20 10 DICDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC001231912289 1053914446 /nfs/dbraw/zinc/91/44/46/1053914446.db2.gz CAWSGICPZBRJGW-INIZCTEOSA-N 0 1 302.805 4.086 20 10 DICDMN CC(C)c1nc(CN(C)Cc2cccc(Cl)c2O)cs1 ZINC001231912763 1053916906 /nfs/dbraw/zinc/91/69/06/1053916906.db2.gz XZLIWQZGRIVYPP-UHFFFAOYSA-N 0 1 310.850 4.258 20 10 DICDMN COc1ccc(CNCc2ccccc2OC(C)(C)C)cc1C ZINC001200783133 1053970299 /nfs/dbraw/zinc/97/02/99/1053970299.db2.gz DISPCYWABSDARP-UHFFFAOYSA-N 0 1 313.441 4.471 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1Cl ZINC001232265257 1054005656 /nfs/dbraw/zinc/00/56/56/1054005656.db2.gz RXBSTXAMULKAFY-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1Cl ZINC001232265257 1054005669 /nfs/dbraw/zinc/00/56/69/1054005669.db2.gz RXBSTXAMULKAFY-MRXNPFEDSA-N 0 1 317.816 4.391 20 10 DICDMN COc1cc([O-])c(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1Cl ZINC001232268565 1054008567 /nfs/dbraw/zinc/00/85/67/1054008567.db2.gz PLALVHHOZZXBIV-UHFFFAOYSA-N 0 1 319.832 4.303 20 10 DICDMN COc1cc([O-])c(C[N@@H+](C)Cc2ccc(C)c(C)c2)cc1Cl ZINC001232268565 1054008579 /nfs/dbraw/zinc/00/85/79/1054008579.db2.gz PLALVHHOZZXBIV-UHFFFAOYSA-N 0 1 319.832 4.303 20 10 DICDMN COc1cc([O-])c(C[N@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001232270851 1054010964 /nfs/dbraw/zinc/01/09/64/1054010964.db2.gz KIOMJQMMAJSLMF-INIZCTEOSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC001232270851 1054010976 /nfs/dbraw/zinc/01/09/76/1054010976.db2.gz KIOMJQMMAJSLMF-INIZCTEOSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1Cl ZINC001232270852 1054011173 /nfs/dbraw/zinc/01/11/73/1054011173.db2.gz KIOMJQMMAJSLMF-MRXNPFEDSA-N 0 1 317.816 4.174 20 10 DICDMN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1Cl ZINC001232270852 1054011182 /nfs/dbraw/zinc/01/11/82/1054011182.db2.gz KIOMJQMMAJSLMF-MRXNPFEDSA-N 0 1 317.816 4.174 20 10 DICDMN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000848557802 1054149094 /nfs/dbraw/zinc/14/90/94/1054149094.db2.gz HOERGIOUSRIVDX-MZPVMMEZSA-N 0 1 309.837 4.044 20 10 DICDMN CC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000848564048 1054151200 /nfs/dbraw/zinc/15/12/00/1054151200.db2.gz AMLAVLMWJZPGAB-BLLLJJGKSA-N 0 1 304.821 4.113 20 10 DICDMN C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000848567715 1054155191 /nfs/dbraw/zinc/15/51/91/1054155191.db2.gz LVJBROIMZAAOBN-QWRGUYRKSA-N 0 1 301.352 4.396 20 10 DICDMN CCN(C)c1ccc([C@H](C)NCc2noc3ccccc23)cc1 ZINC000848573607 1054156571 /nfs/dbraw/zinc/15/65/71/1054156571.db2.gz WLSZMOUZIQDXKW-AWEZNQCLSA-N 0 1 309.413 4.135 20 10 DICDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233073729 1054179494 /nfs/dbraw/zinc/17/94/94/1054179494.db2.gz CJLQKJFRZKXPJL-MRXNPFEDSA-N 0 1 303.352 4.316 20 10 DICDMN CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001233074159 1054180626 /nfs/dbraw/zinc/18/06/26/1054180626.db2.gz IRDWSCBOJMELHC-UHFFFAOYSA-N 0 1 305.368 4.471 20 10 DICDMN COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])c1 ZINC001233078192 1054184239 /nfs/dbraw/zinc/18/42/39/1054184239.db2.gz LENYZPACFBZYNJ-INIZCTEOSA-N 0 1 319.351 4.016 20 10 DICDMN CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001233286248 1054222754 /nfs/dbraw/zinc/22/27/54/1054222754.db2.gz MAJQQQPFGNDVNV-HNNXBMFYSA-N 0 1 316.470 4.483 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCC[C@H]2c2nccs2)c1 ZINC001233286248 1054222769 /nfs/dbraw/zinc/22/27/69/1054222769.db2.gz MAJQQQPFGNDVNV-HNNXBMFYSA-N 0 1 316.470 4.483 20 10 DICDMN CC(C)(C)c1ccc(O)c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC001233286169 1054223172 /nfs/dbraw/zinc/22/31/72/1054223172.db2.gz IOQFMKOUOBRURM-UHFFFAOYSA-N 0 1 311.425 4.084 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCOc3ccccc3C2)c1 ZINC001233286169 1054223185 /nfs/dbraw/zinc/22/31/85/1054223185.db2.gz IOQFMKOUOBRURM-UHFFFAOYSA-N 0 1 311.425 4.084 20 10 DICDMN CC(C)(C)c1ccc(O)c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001233283923 1054223225 /nfs/dbraw/zinc/22/32/25/1054223225.db2.gz AYEZOLMEXQSVMI-IRXDYDNUSA-N 0 1 315.457 4.023 20 10 DICDMN COc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2C)c1O ZINC001233287208 1054224600 /nfs/dbraw/zinc/22/46/00/1054224600.db2.gz BPFZHEXRIJKPGJ-LBPRGKRZSA-N 0 1 317.816 4.174 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001233335230 1054238155 /nfs/dbraw/zinc/23/81/55/1054238155.db2.gz MXIFNRBOAYDHKK-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001233334942 1054238276 /nfs/dbraw/zinc/23/82/76/1054238276.db2.gz ALKAPGHBTQZXGJ-LLVKDONJSA-N 0 1 323.770 4.313 20 10 DICDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001233335164 1054239792 /nfs/dbraw/zinc/23/97/92/1054239792.db2.gz KAVOZLBYAMPNSD-GFCCVEGCSA-N 0 1 323.770 4.313 20 10 DICDMN C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415773 1054267094 /nfs/dbraw/zinc/26/70/94/1054267094.db2.gz IEVVAMINYUXALZ-UHFFFAOYSA-N 0 1 313.294 4.182 20 10 DICDMN C[N@@H+](Cc1cccs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417830 1054268274 /nfs/dbraw/zinc/26/82/74/1054268274.db2.gz KHZXWAJDMXCGRL-UHFFFAOYSA-N 0 1 301.333 4.105 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001233454790 1054276440 /nfs/dbraw/zinc/27/64/40/1054276440.db2.gz KGQSQIGEILSWOL-HNNXBMFYSA-N 0 1 307.315 4.358 20 10 DICDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001233454790 1054276445 /nfs/dbraw/zinc/27/64/45/1054276445.db2.gz KGQSQIGEILSWOL-HNNXBMFYSA-N 0 1 307.315 4.358 20 10 DICDMN Cc1cnc(C(C)(C)NCc2ccc(N3CCCC3)cc2)s1 ZINC001340022495 1054354423 /nfs/dbraw/zinc/35/44/23/1054354423.db2.gz WCYCPHQKGCHVHK-UHFFFAOYSA-N 0 1 315.486 4.077 20 10 DICDMN [O-]c1c(C[NH+]2CCCCCCC2)cccc1OC(F)(F)F ZINC001233761340 1054354488 /nfs/dbraw/zinc/35/44/88/1054354488.db2.gz RTZGFLKLYJSVCN-UHFFFAOYSA-N 0 1 303.324 4.057 20 10 DICDMN CCOc1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001341760133 1054408245 /nfs/dbraw/zinc/40/82/45/1054408245.db2.gz NSENKVXZMFBBRE-UHFFFAOYSA-N 0 1 317.816 4.003 20 10 DICDMN Nc1ccc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC001345159771 1054490180 /nfs/dbraw/zinc/49/01/80/1054490180.db2.gz KWKXTGHCCXUYKB-OAHLLOKOSA-N 0 1 312.310 4.191 20 10 DICDMN C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185454102 1054548432 /nfs/dbraw/zinc/54/84/32/1054548432.db2.gz OFVWZVBMHARBBF-BTYIYWSLSA-N 0 1 321.420 4.104 20 10 DICDMN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000185564531 1054583109 /nfs/dbraw/zinc/58/31/09/1054583109.db2.gz SYJLOWRNFFTIKR-KBPBESRZSA-N 0 1 301.430 4.400 20 10 DICDMN C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc(Br)ccc1[O-] ZINC001349314796 1054736035 /nfs/dbraw/zinc/73/60/35/1054736035.db2.gz ZQRUDIDJSSPAAV-WCQGTBRESA-N 0 1 316.214 4.086 20 10 DICDMN C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cc(Br)ccc1[O-] ZINC001349314794 1054737491 /nfs/dbraw/zinc/73/74/91/1054737491.db2.gz ZQRUDIDJSSPAAV-DLOVCJGASA-N 0 1 316.214 4.086 20 10 DICDMN CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC001474360430 1054805442 /nfs/dbraw/zinc/80/54/42/1054805442.db2.gz PDNGUBNBKULWNJ-WDEREUQCSA-N 0 1 317.857 4.291 20 10 DICDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001236663197 1055217503 /nfs/dbraw/zinc/21/75/03/1055217503.db2.gz CVNVMOUXHRXQKB-NEPJUHHUSA-N 0 1 312.251 4.084 20 10 DICDMN CCc1ccc(CN(C)Cc2ncccc2C(F)(F)F)c(O)c1 ZINC001236782580 1055257205 /nfs/dbraw/zinc/25/72/05/1055257205.db2.gz CRUFOLFDFVBFLQ-UHFFFAOYSA-N 0 1 324.346 4.000 20 10 DICDMN CCc1ccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC001236787179 1055258842 /nfs/dbraw/zinc/25/88/42/1055258842.db2.gz HGOKGHVUJAMAIB-UHFFFAOYSA-N 0 1 312.457 4.043 20 10 DICDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001236797217 1055262986 /nfs/dbraw/zinc/26/29/86/1055262986.db2.gz VFIMNWPIUMRXTH-LBPRGKRZSA-N 0 1 323.223 4.084 20 10 DICDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236792524 1055263562 /nfs/dbraw/zinc/26/35/62/1055263562.db2.gz DVPKXCRICVDYLB-UHFFFAOYSA-N 0 1 312.196 4.037 20 10 DICDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236804006 1055265974 /nfs/dbraw/zinc/26/59/74/1055265974.db2.gz RYPUNQRWQJYCHA-BLLLJJGKSA-N 0 1 309.837 4.209 20 10 DICDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236804006 1055265990 /nfs/dbraw/zinc/26/59/90/1055265990.db2.gz RYPUNQRWQJYCHA-BLLLJJGKSA-N 0 1 309.837 4.209 20 10 DICDMN CCc1ccc(C[N@@H+](C)Cc2ccc(OC)c(Cl)c2[O-])cc1 ZINC001236806902 1055268878 /nfs/dbraw/zinc/26/88/78/1055268878.db2.gz KIKLRAQAOCQEIJ-UHFFFAOYSA-N 0 1 319.832 4.249 20 10 DICDMN COc1ccc(CN2Cc3cccc(Cl)c3C2)c(O)c1Cl ZINC001236805975 1055269393 /nfs/dbraw/zinc/26/93/93/1055269393.db2.gz INWDSEKZSJGGKA-UHFFFAOYSA-N 0 1 324.207 4.223 20 10 DICDMN COc1cc(O)c(CN2CC[C@@H]2c2ccccc2)c(Cl)c1 ZINC001236804492 1055269431 /nfs/dbraw/zinc/26/94/31/1055269431.db2.gz USSVRFGUEKXFJF-MRXNPFEDSA-N 0 1 303.789 4.001 20 10 DICDMN CN(Cc1cc2ccccc2cc1O)Cc1ccc(F)cc1F ZINC001236838123 1055288371 /nfs/dbraw/zinc/28/83/71/1055288371.db2.gz VFOKMJIPYFREPN-UHFFFAOYSA-N 0 1 313.347 4.456 20 10 DICDMN C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc2ccccc2c1[O-] ZINC000384179973 1055322808 /nfs/dbraw/zinc/32/28/08/1055322808.db2.gz WMCCOKGKBLOIIC-UONOGXRCSA-N 0 1 301.455 4.339 20 10 DICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001237082022 1055363331 /nfs/dbraw/zinc/36/33/31/1055363331.db2.gz PFMGNLVWPJAVLZ-LBPRGKRZSA-N 0 1 323.223 4.084 20 10 DICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001237080974 1055364779 /nfs/dbraw/zinc/36/47/79/1055364779.db2.gz JAHZLCVVVUUUEZ-LBPRGKRZSA-N 0 1 323.223 4.084 20 10 DICDMN CCC[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)C1CCOCC1 ZINC001237085091 1055368415 /nfs/dbraw/zinc/36/84/15/1055368415.db2.gz VPWDECWXRQNKED-UHFFFAOYSA-N 0 1 318.244 4.090 20 10 DICDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001237082763 1055367492 /nfs/dbraw/zinc/36/74/92/1055367492.db2.gz URUINIRAZGOZDB-NSHDSACASA-N 0 1 323.223 4.084 20 10 DICDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc(F)c1Cl ZINC001237129513 1055379319 /nfs/dbraw/zinc/37/93/19/1055379319.db2.gz HXROHHKKMSBSIH-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c([O-])ccc(F)c1Cl ZINC001237129513 1055379334 /nfs/dbraw/zinc/37/93/34/1055379334.db2.gz HXROHHKKMSBSIH-UHFFFAOYSA-N 0 1 323.795 4.215 20 10 DICDMN Oc1ccc(C(F)(F)F)cc1CN1CC[C@@H]1c1ccccc1 ZINC001237140687 1055383431 /nfs/dbraw/zinc/38/34/31/1055383431.db2.gz NMPHCUMAYXYACI-OAHLLOKOSA-N 0 1 307.315 4.358 20 10 DICDMN Cc1cccc(O)c1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC001237491262 1055461242 /nfs/dbraw/zinc/46/12/42/1055461242.db2.gz JEZGVYJTYADHBI-UHFFFAOYSA-N 0 1 321.342 4.278 20 10 DICDMN Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1C(F)(F)F ZINC001237619694 1055485211 /nfs/dbraw/zinc/48/52/11/1055485211.db2.gz BPDIRBMJGUYSHZ-NSHDSACASA-N 0 1 311.706 4.102 20 10 DICDMN Cc1cc(Cl)cc(CN2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001237688176 1055502625 /nfs/dbraw/zinc/50/26/25/1055502625.db2.gz GAXRMOKJBFYXGX-CYBMUJFWSA-N 0 1 321.848 4.078 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(Cl)c1 ZINC001620893086 1055518268 /nfs/dbraw/zinc/51/82/68/1055518268.db2.gz BKUDWVCAXDXUCC-HZPDHXFCSA-N 0 1 311.853 4.036 20 10 DICDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c(Cl)c1 ZINC001620893085 1055518309 /nfs/dbraw/zinc/51/83/09/1055518309.db2.gz BKUDWVCAXDXUCC-HOTGVXAUSA-N 0 1 311.853 4.036 20 10 DICDMN Cc1c(Cl)cccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001237734138 1055520236 /nfs/dbraw/zinc/52/02/36/1055520236.db2.gz FLBXDKPEXWIFBL-UHFFFAOYSA-N 0 1 317.816 4.008 20 10 DICDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237815502 1055536241 /nfs/dbraw/zinc/53/62/41/1055536241.db2.gz ZHWQNWGYCVHLAB-UHFFFAOYSA-N 0 1 314.187 4.470 20 10 DICDMN C[C@]1(CC[NH2+]Cc2c([O-])cccc2Cl)CC1(Cl)Cl ZINC001620938043 1055551121 /nfs/dbraw/zinc/55/11/21/1055551121.db2.gz KFYUSAMAHAAENL-LBPRGKRZSA-N 0 1 308.636 4.109 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC001620951177 1055567493 /nfs/dbraw/zinc/56/74/93/1055567493.db2.gz BHMBIUQSDOLSBR-HNNXBMFYSA-N 0 1 301.817 4.329 20 10 DICDMN Cc1cc(F)cc(CN2CCC[C@H]2c2ccc(F)cc2F)c1O ZINC001238065770 1055598764 /nfs/dbraw/zinc/59/87/64/1055598764.db2.gz FEHVNXMPJMHXHN-KRWDZBQOSA-N 0 1 321.342 4.455 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2cc3ccccc3o2)c(Cl)c1 ZINC001620724156 1055986973 /nfs/dbraw/zinc/98/69/73/1055986973.db2.gz LBPGBNKWSURGAO-UHFFFAOYSA-N 0 1 301.773 4.390 20 10 DICDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001621023688 1055989331 /nfs/dbraw/zinc/98/93/31/1055989331.db2.gz VJPGLTIWRPYLCR-OAHLLOKOSA-N 0 1 308.208 4.476 20 10 DICDMN CC[C@](C)(NCc1c(C)c2ccccc2n1C)c1nccs1 ZINC001620806284 1056001074 /nfs/dbraw/zinc/00/10/74/1056001074.db2.gz CJTIFZSJNNFHMY-SFHVURJKSA-N 0 1 313.470 4.358 20 10 DICDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1nc2ccccc2s1 ZINC000921742112 1056439609 /nfs/dbraw/zinc/43/96/09/1056439609.db2.gz CIWQTWRZGTYEMT-CYBMUJFWSA-N 0 1 324.449 4.472 20 10 DICDMN CC[C@](C)(NCc1ccc2c(c1)CCCO2)c1nc(C)cs1 ZINC000921782307 1056488164 /nfs/dbraw/zinc/48/81/64/1056488164.db2.gz QHWDIZMAQQWCTE-SFHVURJKSA-N 0 1 316.470 4.192 20 10 DICDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1[O-] ZINC001615543619 1056532721 /nfs/dbraw/zinc/53/27/21/1056532721.db2.gz MMKSHOPGQHJJHS-VXGBXAGGSA-N 0 1 309.837 4.259 20 10 DICDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCCCC1 ZINC000715713555 1056543448 /nfs/dbraw/zinc/54/34/48/1056543448.db2.gz RAIKSRPWRVVEKR-UHFFFAOYSA-N 0 1 316.214 4.058 20 10 DICDMN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2c(C)noc2C)cc1 ZINC000765999290 1057055333 /nfs/dbraw/zinc/05/53/33/1057055333.db2.gz ARFVXRCBXHHLPS-CHWSQXEVSA-N 0 1 301.434 4.159 20 10 DICDMN CCN(C)c1ccc([C@H](C)N[C@H](C)c2c(C)noc2C)cc1 ZINC000765999291 1057055947 /nfs/dbraw/zinc/05/59/47/1057055947.db2.gz ARFVXRCBXHHLPS-QWHCGFSZSA-N 0 1 301.434 4.159 20 10 DICDMN C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc2ccccc2c1[O-] ZINC000282382704 1057064203 /nfs/dbraw/zinc/06/42/03/1057064203.db2.gz JEQCDLSKHDDQSN-FZKQIMNGSA-N 0 1 321.424 4.007 20 10 DICDMN Cc1cc(C)cc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000766094596 1057321579 /nfs/dbraw/zinc/32/15/79/1057321579.db2.gz YULPDFXXHGRIFN-UHFFFAOYSA-N 0 1 306.409 4.189 20 10 DICDMN Cc1cc(C)cc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000766094596 1057321585 /nfs/dbraw/zinc/32/15/85/1057321585.db2.gz YULPDFXXHGRIFN-UHFFFAOYSA-N 0 1 306.409 4.189 20 10 DICDMN [O-]c1cccc(F)c1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001137839098 1057465172 /nfs/dbraw/zinc/46/51/72/1057465172.db2.gz QZDURCYDXCZQNB-UHFFFAOYSA-N 0 1 314.404 4.261 20 10 DICDMN Cc1ccc([C@H](C)[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000706809760 1057481312 /nfs/dbraw/zinc/48/13/12/1057481312.db2.gz MGWQAKBIQWPBGX-LBPRGKRZSA-N 0 1 320.230 4.314 20 10 DICDMN C[C@H](c1ccccc1Br)N(C)Cc1ccccc1O ZINC000732203114 1057770542 /nfs/dbraw/zinc/77/05/42/1057770542.db2.gz PPLYALAKPMFPAI-GFCCVEGCSA-N 0 1 320.230 4.348 20 10 DICDMN C=C/C=C/CC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001559568988 1059400072 /nfs/dbraw/zinc/40/00/72/1059400072.db2.gz LPBRHXHCMYWRDZ-AATRIKPKSA-N 0 1 310.235 4.109 20 10 DICDMN C=C/C=C/CC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC001559568988 1059400091 /nfs/dbraw/zinc/40/00/91/1059400091.db2.gz LPBRHXHCMYWRDZ-AATRIKPKSA-N 0 1 310.235 4.109 20 10 DICDMN CCN(C)c1ccc(CN2CCO[C@H](c3ccccc3C)C2)cc1 ZINC001559575841 1059409716 /nfs/dbraw/zinc/40/97/16/1059409716.db2.gz MOIQAYWNLKHKPP-NRFANRHFSA-N 0 1 324.468 4.025 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)c1[O-] ZINC001559775337 1059612971 /nfs/dbraw/zinc/61/29/71/1059612971.db2.gz JSLKWZXBGQPQQI-BDJLRTHQSA-N 0 1 307.409 4.038 20 10 DICDMN C[C@H](OCCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC001560253541 1060022542 /nfs/dbraw/zinc/02/25/42/1060022542.db2.gz UQEMQZUCCUQHTR-AWEZNQCLSA-N 0 1 319.832 4.303 20 10 DICDMN C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001560322588 1060110446 /nfs/dbraw/zinc/11/04/46/1060110446.db2.gz LJYZYGAAXZOFOR-HBYGRHMLSA-N 0 1 312.251 4.069 20 10 DICDMN CCCOc1ccc(CNCc2cc(F)ccc2F)cc1C ZINC001560324831 1060112738 /nfs/dbraw/zinc/11/27/38/1060112738.db2.gz HEBGRYRIVNCBTN-UHFFFAOYSA-N 0 1 305.368 4.352 20 10 DICDMN CCCCNCc1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001249025500 1060115133 /nfs/dbraw/zinc/11/51/33/1060115133.db2.gz HJNORVDDFNNETE-UHFFFAOYSA-N 0 1 324.428 4.034 20 10 DICDMN CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@H]4CCC[C@H]43)ccc2O1 ZINC001249252669 1060203807 /nfs/dbraw/zinc/20/38/07/1060203807.db2.gz QDXHVUCHLDROES-RHSMWYFYSA-N 0 1 313.441 4.341 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCCC2(F)F)c(Cl)c1 ZINC001560483973 1060274803 /nfs/dbraw/zinc/27/48/03/1060274803.db2.gz RKGUENHKKJJRJB-NSHDSACASA-N 0 1 303.780 4.269 20 10 DICDMN Cc1ccc(Cl)cc1CNCc1cc(F)c(N(C)C)cc1F ZINC001560609589 1060424432 /nfs/dbraw/zinc/42/44/32/1060424432.db2.gz QGNQWYYXMVUZIZ-UHFFFAOYSA-N 0 1 324.802 4.282 20 10 DICDMN C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H](c2ccco2)C1 ZINC001560639186 1060456226 /nfs/dbraw/zinc/45/62/26/1060456226.db2.gz RPPCAAJRHUUOKQ-FZMZJTMJSA-N 0 1 307.340 4.237 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001560644809 1060468337 /nfs/dbraw/zinc/46/83/37/1060468337.db2.gz HGODNTCTWIAGAC-KRWDZBQOSA-N 0 1 316.832 4.395 20 10 DICDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC001560644809 1060468341 /nfs/dbraw/zinc/46/83/41/1060468341.db2.gz HGODNTCTWIAGAC-KRWDZBQOSA-N 0 1 316.832 4.395 20 10 DICDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001560661214 1060487114 /nfs/dbraw/zinc/48/71/14/1060487114.db2.gz PHZNXYHKYYRGHG-HNNXBMFYSA-N 0 1 317.379 4.440 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC001560661377 1060487898 /nfs/dbraw/zinc/48/78/98/1060487898.db2.gz BVTFACABXDTDJR-KRWDZBQOSA-N 0 1 316.832 4.122 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC001560661377 1060487908 /nfs/dbraw/zinc/48/79/08/1060487908.db2.gz BVTFACABXDTDJR-KRWDZBQOSA-N 0 1 316.832 4.122 20 10 DICDMN Cc1cc(O)c(CN2CCOC3(C2)CCCCCC3)c(Cl)c1 ZINC001560664566 1060493420 /nfs/dbraw/zinc/49/34/20/1060493420.db2.gz BKLPZTLKUKMOSJ-UHFFFAOYSA-N 0 1 323.864 4.279 20 10 DICDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001560668445 1060496257 /nfs/dbraw/zinc/49/62/57/1060496257.db2.gz LDGNFTBZAYIDSU-LLVKDONJSA-N 0 1 305.780 4.132 20 10 DICDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001560668446 1060497847 /nfs/dbraw/zinc/49/78/47/1060497847.db2.gz LDGNFTBZAYIDSU-NSHDSACASA-N 0 1 305.780 4.132 20 10 DICDMN C[C@H]1c2ccccc2OCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001560680503 1060520753 /nfs/dbraw/zinc/52/07/53/1060520753.db2.gz CIXDUNBNMNEVBI-LXXRFIIISA-N 0 1 322.452 4.221 20 10 DICDMN COc1cc(C)cc(CN(C)[C@@H](C)c2ccccc2F)c1O ZINC001560717851 1060578804 /nfs/dbraw/zinc/57/88/04/1060578804.db2.gz ANVQHYJVPSDJLP-ZDUSSCGKSA-N 0 1 303.377 4.041 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@H+](Cc1ccccc1F)C1CC1 ZINC001560731451 1060597961 /nfs/dbraw/zinc/59/79/61/1060597961.db2.gz XLOCXSSZGKABPQ-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN [O-]c1cc(Cl)ccc1C[N@@H+](Cc1ccccc1F)C1CC1 ZINC001560731451 1060597979 /nfs/dbraw/zinc/59/79/79/1060597979.db2.gz XLOCXSSZGKABPQ-UHFFFAOYSA-N 0 1 305.780 4.349 20 10 DICDMN Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001560884924 1060745800 /nfs/dbraw/zinc/74/58/00/1060745800.db2.gz MBACJFRWIHFLGX-KRWDZBQOSA-N 0 1 321.342 4.455 20 10 DICDMN Cc1cc(O)c(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1Cl ZINC001560897941 1060760156 /nfs/dbraw/zinc/76/01/56/1060760156.db2.gz RSLONDWBHLFPSA-SJORKVTESA-N 0 1 305.780 4.081 20 10 DICDMN CC(C)c1ccc(O)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC001560913472 1060774340 /nfs/dbraw/zinc/77/43/40/1060774340.db2.gz MXIQDLAJZJHXKS-UHFFFAOYSA-N 0 1 305.805 4.164 20 10 DICDMN CC1(C)C=Cc2cccc(NCc3ccc(F)c(F)c3O)c2O1 ZINC001560953229 1060819484 /nfs/dbraw/zinc/81/94/84/1060819484.db2.gz HRNQPUDKWIBLHQ-UHFFFAOYSA-N 0 1 317.335 4.467 20 10 DICDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1(C)CCC1 ZINC001473193012 1060946707 /nfs/dbraw/zinc/94/67/07/1060946707.db2.gz ZYQVGASRRWMGKI-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1(C)CCC1 ZINC001473193012 1060946725 /nfs/dbraw/zinc/94/67/25/1060946725.db2.gz ZYQVGASRRWMGKI-UHFFFAOYSA-N 0 1 312.251 4.167 20 10 DICDMN CSc1cccc(F)c1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001462220265 1061036483 /nfs/dbraw/zinc/03/64/83/1061036483.db2.gz IZGNELYUJNUMHT-UHFFFAOYSA-N 0 1 311.809 4.196 20 10 DICDMN C[C@H](c1ccccc1)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001462223277 1061038242 /nfs/dbraw/zinc/03/82/42/1061038242.db2.gz LWDYXAPOOZNECI-GFCCVEGCSA-N 0 1 303.352 4.396 20 10 DICDMN CCc1ccc([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001462279902 1061072906 /nfs/dbraw/zinc/07/29/06/1061072906.db2.gz DIEBIGOKQXJEQB-HNNXBMFYSA-N 0 1 317.379 4.222 20 10 DICDMN CCC(CC)[N@@H+](CC)Cc1ccc(Br)cc1[O-] ZINC001462297407 1061086413 /nfs/dbraw/zinc/08/64/13/1061086413.db2.gz OLXPSKUODLQLNW-UHFFFAOYSA-N 0 1 300.240 4.165 20 10 DICDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)ccc(F)c1F ZINC001462299023 1061088527 /nfs/dbraw/zinc/08/85/27/1061088527.db2.gz WAFMFTLSLNEMRB-GOSISDBHSA-N 0 1 315.363 4.398 20 10 DICDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001462335297 1061112922 /nfs/dbraw/zinc/11/29/22/1061112922.db2.gz RNUDIOWPMRBFPG-WMZOPIPTSA-N 0 1 317.379 4.439 20 10 DICDMN COc1c(C)cccc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001462382974 1061140263 /nfs/dbraw/zinc/14/02/63/1061140263.db2.gz KKKMXVGZBPUYPR-UHFFFAOYSA-N 0 1 307.393 4.152 20 10 DICDMN [O-]c1c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)ccc2ccccc21 ZINC001462433904 1061172130 /nfs/dbraw/zinc/17/21/30/1061172130.db2.gz ARGAHAOYUGVYTD-IBGZPJMESA-N 0 1 324.468 4.042 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001462466585 1061191729 /nfs/dbraw/zinc/19/17/29/1061191729.db2.gz AJSXWMFLEMMKQJ-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001462466585 1061191740 /nfs/dbraw/zinc/19/17/40/1061191740.db2.gz AJSXWMFLEMMKQJ-SNVBAGLBSA-N 0 1 307.743 4.128 20 10 DICDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001462522951 1061232413 /nfs/dbraw/zinc/23/24/13/1061232413.db2.gz KWGFTKOZVJKVCL-VXGBXAGGSA-N 0 1 305.727 4.032 20 10 DICDMN Cc1cc(C)c2cc(NCc3ccc(F)c(F)c3O)ccc2n1 ZINC001462580508 1061275399 /nfs/dbraw/zinc/27/53/99/1061275399.db2.gz ZYAUXJVALINBAL-UHFFFAOYSA-N 0 1 314.335 4.448 20 10 DICDMN CC(C)C[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC001462600410 1061287008 /nfs/dbraw/zinc/28/70/08/1061287008.db2.gz BCBFTWVVGAGYIR-UHFFFAOYSA-N 0 1 322.811 4.238 20 10 DICDMN CC1(C)CC[C@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])OC1 ZINC001462616959 1061300349 /nfs/dbraw/zinc/30/03/49/1061300349.db2.gz IKLMVJDZQCGPGM-QGZVFWFLSA-N 0 1 313.441 4.230 20 10 DICDMN Cc1cc(O)c(CNCc2ccc(Cl)cc2F)c(Cl)c1 ZINC001474120229 1061669510 /nfs/dbraw/zinc/66/95/10/1061669510.db2.gz JKRWYJZFQOOWPQ-UHFFFAOYSA-N 0 1 314.187 4.436 20 10 DICDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(Cl)cc2F)c(Cl)c1 ZINC001474120229 1061669520 /nfs/dbraw/zinc/66/95/20/1061669520.db2.gz JKRWYJZFQOOWPQ-UHFFFAOYSA-N 0 1 314.187 4.436 20 10 DICDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CSc3ccccc32)c(Cl)c1 ZINC001474157856 1061698559 /nfs/dbraw/zinc/69/85/59/1061698559.db2.gz QIOVIVKPZUNJBL-GFCCVEGCSA-N 0 1 319.857 4.333 20 10 DICDMN COc1ccccc1C1(NCc2c(C)c3ccccc3n2C)CC1 ZINC001474187201 1061736546 /nfs/dbraw/zinc/73/65/46/1061736546.db2.gz AJIXVGHHYAMQKD-UHFFFAOYSA-N 0 1 320.436 4.274 20 10 DICDMN CC[C@H](OCC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC001474201527 1061755150 /nfs/dbraw/zinc/75/51/50/1061755150.db2.gz YMRADNZWUTVJHA-SFHVURJKSA-N 0 1 319.832 4.303 20 10 DICDMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001474320959 1061895472 /nfs/dbraw/zinc/89/54/72/1061895472.db2.gz VJMIOMBRRYHKHE-HOTGVXAUSA-N 0 1 311.853 4.071 20 10 DICDMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001474320959 1061895496 /nfs/dbraw/zinc/89/54/96/1061895496.db2.gz VJMIOMBRRYHKHE-HOTGVXAUSA-N 0 1 311.853 4.071 20 10 DICDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC001474321492 1061902850 /nfs/dbraw/zinc/90/28/50/1061902850.db2.gz JRSVETLMJQDKEW-CQSZACIVSA-N 0 1 307.340 4.381 20 10 DICDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC001474342131 1061939996 /nfs/dbraw/zinc/93/99/96/1061939996.db2.gz PCMKZBDOXCOBHY-NSHDSACASA-N 0 1 309.331 4.393 20 10 DICDMN Cc1cc([O-])c(C[N@H+]2Cc3ccccc3C[C@H]2C)cc1Cl ZINC001474352075 1061961091 /nfs/dbraw/zinc/96/10/91/1061961091.db2.gz SFVLWWFXUBOMPB-CYBMUJFWSA-N 0 1 301.817 4.301 20 10 DICDMN Cc1cc([O-])c(C[N@@H+]2Cc3ccccc3C[C@H]2C)cc1Cl ZINC001474352075 1061961106 /nfs/dbraw/zinc/96/11/06/1061961106.db2.gz SFVLWWFXUBOMPB-CYBMUJFWSA-N 0 1 301.817 4.301 20 10 DICDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001474351041 1061965037 /nfs/dbraw/zinc/96/50/37/1061965037.db2.gz SHVZNQSHOKNSOE-MRXNPFEDSA-N 0 1 303.833 4.499 20 10 DICDMN CC(C)C[N@@H+](CCc1ccccc1)Cc1cccc(F)c1[O-] ZINC001474362469 1061992512 /nfs/dbraw/zinc/99/25/12/1061992512.db2.gz KTDQMWPZOAFOBW-UHFFFAOYSA-N 0 1 301.405 4.232 20 10 DICDMN Cc1cc(CN2CCc3c(Cl)cccc3C2)ccc1N(C)C ZINC001459536880 1062193118 /nfs/dbraw/zinc/19/31/18/1062193118.db2.gz DTEOMFYFHUHGQW-UHFFFAOYSA-N 0 1 314.860 4.273 20 10 DICDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(C3CCCC3)CC2)c1[O-] ZINC001459596530 1062233589 /nfs/dbraw/zinc/23/35/89/1062233589.db2.gz MROOISKLLKULHR-UHFFFAOYSA-N 0 1 319.420 4.136 20 10 DICDMN C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC001254720924 1062238796 /nfs/dbraw/zinc/23/87/96/1062238796.db2.gz CMUDMXDPUIFLLC-ZDUSSCGKSA-N 0 1 318.848 4.005 20 10 DICDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H]1CC1(C)C ZINC001474587267 1062296923 /nfs/dbraw/zinc/29/69/23/1062296923.db2.gz PSJRGQQQKZDJHZ-QWHCGFSZSA-N 0 1 312.251 4.069 20 10 DICDMN CCCC[C@@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001255328866 1062405639 /nfs/dbraw/zinc/40/56/39/1062405639.db2.gz FIZNLCAQUPZVOW-CQSZACIVSA-N 0 1 300.446 4.124 20 10 DICDMN CCCC[C@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001255328865 1062405702 /nfs/dbraw/zinc/40/57/02/1062405702.db2.gz FIZNLCAQUPZVOW-AWEZNQCLSA-N 0 1 300.446 4.124 20 10 DICDMN [O-]c1c(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)ccc2ccccc21 ZINC001474745716 1062459735 /nfs/dbraw/zinc/45/97/35/1062459735.db2.gz ZMAAXIYNRRADAG-SFHVURJKSA-N 0 1 323.823 4.456 20 10 DICDMN CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCC2(CCC2)O1 ZINC001460022309 1062577672 /nfs/dbraw/zinc/57/76/72/1062577672.db2.gz FXCVUWPXZNKOEY-SFHVURJKSA-N 0 1 317.473 4.486 20 10 DICDMN COc1cccc(C[C@H](C)[NH2+]Cc2cc3ccccc3cc2[O-])c1 ZINC001256153627 1062732468 /nfs/dbraw/zinc/73/24/68/1062732468.db2.gz JRPHCZJQSKCFTM-HNNXBMFYSA-N 0 1 321.420 4.275 20 10 DICDMN CCCOc1ccc(CNCc2cn3c(cccc3C)n2)cc1C ZINC001461190181 1063321117 /nfs/dbraw/zinc/32/11/17/1063321117.db2.gz PEXRMUKQGJWALT-UHFFFAOYSA-N 0 1 323.440 4.030 20 10 DICDMN CC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)Oc1ccccc1F ZINC001461270850 1063379943 /nfs/dbraw/zinc/37/99/43/1063379943.db2.gz ZHYZEWWRBSNTFM-LBPRGKRZSA-N 0 1 323.795 4.132 20 10 DICDMN CC(C)=CCC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001258083480 1063505920 /nfs/dbraw/zinc/50/59/20/1063505920.db2.gz KNHFLWXSDZRHAK-LBPRGKRZSA-N 0 1 312.251 4.379 20 10 DICDMN COCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCCCC1 ZINC001461547420 1063572630 /nfs/dbraw/zinc/57/26/30/1063572630.db2.gz GMDVRFPIGOJPNL-UHFFFAOYSA-N 0 1 311.853 4.041 20 10 DICDMN CC[C@]1(C)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001461921683 1063803616 /nfs/dbraw/zinc/80/36/16/1063803616.db2.gz VQJRHUKFHDWTOS-OAHLLOKOSA-N 0 1 312.251 4.085 20 10 DICDMN CC[C@@]1(C)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001461921681 1063804625 /nfs/dbraw/zinc/80/46/25/1063804625.db2.gz VQJRHUKFHDWTOS-HNNXBMFYSA-N 0 1 312.251 4.085 20 10 DICDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCc2ccccc2C1 ZINC001461959667 1063841489 /nfs/dbraw/zinc/84/14/89/1063841489.db2.gz PGCJWBTYDOEXFE-KRWDZBQOSA-N 0 1 309.453 4.409 20 10 DICDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCc2ccccc2C1 ZINC001461959667 1063841506 /nfs/dbraw/zinc/84/15/06/1063841506.db2.gz PGCJWBTYDOEXFE-KRWDZBQOSA-N 0 1 309.453 4.409 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1Cl ZINC001461984136 1063860377 /nfs/dbraw/zinc/86/03/77/1063860377.db2.gz SHNNYZZGDSODGI-ZDUSSCGKSA-N 0 1 319.832 4.123 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1Cl ZINC001461984136 1063860409 /nfs/dbraw/zinc/86/04/09/1063860409.db2.gz SHNNYZZGDSODGI-ZDUSSCGKSA-N 0 1 319.832 4.123 20 10 DICDMN C[C@@H](c1ccccc1)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC001462032488 1063891362 /nfs/dbraw/zinc/89/13/62/1063891362.db2.gz RVQOHUWMEXYHBA-ZDUSSCGKSA-N 0 1 304.384 4.224 20 10 DICDMN C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccc(Br)cc1[O-] ZINC001332341560 1064113599 /nfs/dbraw/zinc/11/35/99/1064113599.db2.gz WVQQFBJCRHHDRH-ZMLRMANQSA-N 0 1 316.214 4.086 20 10 DICDMN COc1ccccc1C[C@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000388781322 1064115961 /nfs/dbraw/zinc/11/59/61/1064115961.db2.gz NAFGJAMANPKTSY-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000388781322 1064115969 /nfs/dbraw/zinc/11/59/69/1064115969.db2.gz NAFGJAMANPKTSY-ZDUSSCGKSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000388781313 1064116042 /nfs/dbraw/zinc/11/60/42/1064116042.db2.gz NAFGJAMANPKTSY-CYBMUJFWSA-N 0 1 319.832 4.117 20 10 DICDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000388781313 1064116046 /nfs/dbraw/zinc/11/60/46/1064116046.db2.gz NAFGJAMANPKTSY-CYBMUJFWSA-N 0 1 319.832 4.117 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)CCC2(C)C)c1[O-] ZINC001307946813 1065693052 /nfs/dbraw/zinc/69/30/52/1065693052.db2.gz ZLRAZNGTBBXUCU-UHFFFAOYSA-N 0 1 307.409 4.135 20 10 DICDMN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H](C)C2CCCCC2)c1[O-] ZINC001307993650 1065717757 /nfs/dbraw/zinc/71/77/57/1065717757.db2.gz QVPOVGKHMIOGOD-ZDUSSCGKSA-N 0 1 321.436 4.382 20 10 DICDMN CCCOc1cc(C)ccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC001308304252 1065898446 /nfs/dbraw/zinc/89/84/46/1065898446.db2.gz BOYCULZJZFPPDS-UHFFFAOYSA-N 0 1 319.832 4.433 20 10 DICDMN Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])c(C[NH+](C)C)c1 ZINC001308322374 1065913086 /nfs/dbraw/zinc/91/30/86/1065913086.db2.gz ZQVQSICLLDYXDE-UHFFFAOYSA-N 0 1 322.811 4.167 20 10 DICDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(Cl)c1 ZINC001308472462 1066012919 /nfs/dbraw/zinc/01/29/19/1066012919.db2.gz UTMNUKYGWAFRTE-VIFPVBQESA-N 0 1 308.636 4.028 20 10 DICDMN CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001308567295 1066076748 /nfs/dbraw/zinc/07/67/48/1066076748.db2.gz JTIOOXSPRKOCLU-KRWDZBQOSA-N 0 1 305.368 4.500 20 10 DICDMN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308572575 1066085296 /nfs/dbraw/zinc/08/52/96/1066085296.db2.gz HAKPCLMGDYKCNW-DIFFPNOSSA-N 0 1 321.342 4.393 20 10 DICDMN CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1cccc(F)c1[O-] ZINC001308593427 1066104600 /nfs/dbraw/zinc/10/46/00/1066104600.db2.gz IOZZAQZHKQLIKB-QGZVFWFLSA-N 0 1 301.405 4.375 20 10 DICDMN CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607506 1066114273 /nfs/dbraw/zinc/11/42/73/1066114273.db2.gz MXLKAADYTBMTDW-IRXDYDNUSA-N 0 1 323.864 4.134 20 10 DICDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C12CCC2 ZINC001308607506 1066114276 /nfs/dbraw/zinc/11/42/76/1066114276.db2.gz MXLKAADYTBMTDW-IRXDYDNUSA-N 0 1 323.864 4.134 20 10 DICDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1c1ccccc1 ZINC001308608849 1066114865 /nfs/dbraw/zinc/11/48/65/1066114865.db2.gz KTLRRBUEZQGDLH-ZBEGNZNMSA-N 0 1 305.780 4.378 20 10 DICDMN CCC[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC001308630607 1066126149 /nfs/dbraw/zinc/12/61/49/1066126149.db2.gz JSBPTSIOCPHMTN-LLVKDONJSA-N 0 1 300.240 4.084 20 10 DICDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@H]21 ZINC001308637666 1066131609 /nfs/dbraw/zinc/13/16/09/1066131609.db2.gz PLYFWTLMQUYJJC-TYNCELHUSA-N 0 1 324.262 4.165 20 10 DICDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@H]21 ZINC001308637666 1066131611 /nfs/dbraw/zinc/13/16/11/1066131611.db2.gz PLYFWTLMQUYJJC-TYNCELHUSA-N 0 1 324.262 4.165 20 10 DICDMN Cc1cc([O-])c(C[N@H+](C)CCOc2ccccc2C)c(Cl)c1 ZINC001308654157 1066139146 /nfs/dbraw/zinc/13/91/46/1066139146.db2.gz XPCAQNPSEVAXHW-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN Cc1cc([O-])c(C[N@@H+](C)CCOc2ccccc2C)c(Cl)c1 ZINC001308654157 1066139147 /nfs/dbraw/zinc/13/91/47/1066139147.db2.gz XPCAQNPSEVAXHW-UHFFFAOYSA-N 0 1 319.832 4.173 20 10 DICDMN COCC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001308657472 1066141188 /nfs/dbraw/zinc/14/11/88/1066141188.db2.gz ZJPUXURUKDRDHC-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN COCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001308657472 1066141192 /nfs/dbraw/zinc/14/11/92/1066141192.db2.gz ZJPUXURUKDRDHC-UHFFFAOYSA-N 0 1 319.832 4.003 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC001308659224 1066141730 /nfs/dbraw/zinc/14/17/30/1066141730.db2.gz MQHCMDMKPOOTKO-INIZCTEOSA-N 0 1 301.817 4.253 20 10 DICDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC001308659225 1066142242 /nfs/dbraw/zinc/14/22/42/1066142242.db2.gz MQHCMDMKPOOTKO-MRXNPFEDSA-N 0 1 301.817 4.253 20 10 DICDMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001308663120 1066143774 /nfs/dbraw/zinc/14/37/74/1066143774.db2.gz MJPPOMLGQIKVCW-IBGZPJMESA-N 0 1 317.379 4.268 20 10 DICDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC001308662733 1066144069 /nfs/dbraw/zinc/14/40/69/1066144069.db2.gz KBRHLDUSMLDKFJ-UHFFFAOYSA-N 0 1 323.770 4.488 20 10 DICDMN CCc1ccc(C[N@@H+](Cc2ccc(F)c(F)c2[O-])C2CC2)cc1 ZINC001308664240 1066144864 /nfs/dbraw/zinc/14/48/64/1066144864.db2.gz VZZJXYZUICBFDA-UHFFFAOYSA-N 0 1 317.379 4.397 20 10 DICDMN [O-]c1c(C[N@H+]2Cc3ccccc3C3(CCC3)C2)ccc(F)c1F ZINC001308755878 1066226585 /nfs/dbraw/zinc/22/65/85/1066226585.db2.gz NUPMWZILRPDDRS-UHFFFAOYSA-N 0 1 315.363 4.108 20 10 DICDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC001308846545 1066322814 /nfs/dbraw/zinc/32/28/14/1066322814.db2.gz SQFLSYSZVYPBHB-UHFFFAOYSA-N 0 1 321.751 4.416 20 10 DICDMN Cc1ccc2c(c1)C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC001308853424 1066333185 /nfs/dbraw/zinc/33/31/85/1066333185.db2.gz GWMCUUWEQYAHCQ-UHFFFAOYSA-N 0 1 305.780 4.051 20 10 DICDMN CC(C)c1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1[O-])CC2 ZINC001308853433 1066334408 /nfs/dbraw/zinc/33/44/08/1066334408.db2.gz HLEUIZVJZCPEMZ-UHFFFAOYSA-N 0 1 317.379 4.352 20 10 DICDMN CCc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001308986930 1066433046 /nfs/dbraw/zinc/43/30/46/1066433046.db2.gz DRYFCFIYICREJP-UHFFFAOYSA-N 0 1 319.807 4.305 20 10 DICDMN