smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1C[N@@H+]1CCC[C@](C)(COc2cc[nH+]cc2)C1 ZINC000257195727 1022779364 /nfs/dbraw/zinc/77/93/64/1022779364.db2.gz WTNYAERFADSZAT-NRFANRHFSA-N 2 2 340.467 4.161 50 0 EIAALP CCOc1ccccc1C[N@H+]1CCC[C@](C)(COc2cc[nH+]cc2)C1 ZINC000257195727 1022779378 /nfs/dbraw/zinc/77/93/78/1022779378.db2.gz WTNYAERFADSZAT-NRFANRHFSA-N 2 2 340.467 4.161 50 0 EIAALP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575547129 1045256890 /nfs/dbraw/zinc/25/68/90/1045256890.db2.gz XEDABUCXWDJVDY-QGZVFWFLSA-N 2 2 331.410 4.184 50 0 EIAALP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575547129 1045256898 /nfs/dbraw/zinc/25/68/98/1045256898.db2.gz XEDABUCXWDJVDY-QGZVFWFLSA-N 2 2 331.410 4.184 50 0 EIAALP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000097009617 203905247 /nfs/dbraw/zinc/90/52/47/203905247.db2.gz WHGOYLYBXBVTMZ-WSTZPKSXSA-N 2 2 330.516 4.055 50 0 EIAALP CSc1ccc2[nH+]c(N3CCC([C@@H](C)[NH+](C)C)CC3)cc(C)c2c1 ZINC000096163216 563979898 /nfs/dbraw/zinc/97/98/98/563979898.db2.gz WBIUOLSHVLRTHB-OAHLLOKOSA-N 2 2 343.540 4.432 50 0 EIAALP COc1ccc2cc(C[NH2+]CCn3c(C)[nH+]c4ccccc43)ccc2c1 ZINC000061556740 563994606 /nfs/dbraw/zinc/99/46/06/563994606.db2.gz VIGNQNXOYIQLOD-UHFFFAOYSA-N 2 2 345.446 4.296 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cn1 ZINC000048782436 564032256 /nfs/dbraw/zinc/03/22/56/564032256.db2.gz KFICZTPDDFMVJC-UHFFFAOYSA-N 2 2 347.249 4.172 50 0 EIAALP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095422421 564140073 /nfs/dbraw/zinc/14/00/73/564140073.db2.gz AEJNKCJFWCLTHF-ZDUSSCGKSA-N 2 2 347.890 4.260 50 0 EIAALP Cc1ccc(C[NH+]2CC(c3[nH+]cc(C)n3Cc3ccccc3)C2)s1 ZINC000575552603 1030598777 /nfs/dbraw/zinc/59/87/77/1030598777.db2.gz FCPUZCHZAWJUIW-UHFFFAOYSA-N 2 2 337.492 4.209 50 0 EIAALP Cc1n[nH]c(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000952979761 1049685769 /nfs/dbraw/zinc/68/57/69/1049685769.db2.gz FRQWORBTIWDBJG-GOSISDBHSA-N 2 2 346.906 4.160 50 0 EIAALP Cc1n[nH]c(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000952979761 1049685784 /nfs/dbraw/zinc/68/57/84/1049685784.db2.gz FRQWORBTIWDBJG-GOSISDBHSA-N 2 2 346.906 4.160 50 0 EIAALP Clc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020358203 202039493 /nfs/dbraw/zinc/03/94/93/202039493.db2.gz MQPKSHNJHJHMPA-RTWAWAEBSA-N 2 2 340.898 4.308 50 0 EIAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000214987382 241100979 /nfs/dbraw/zinc/10/09/79/241100979.db2.gz IWHDWNRHRVHTEF-SFHVURJKSA-N 2 2 339.483 4.121 50 0 EIAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000214987382 241100987 /nfs/dbraw/zinc/10/09/87/241100987.db2.gz IWHDWNRHRVHTEF-SFHVURJKSA-N 2 2 339.483 4.121 50 0 EIAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000072130956 203167323 /nfs/dbraw/zinc/16/73/23/203167323.db2.gz JYQRFUBFLDZYNL-OAHLLOKOSA-N 2 2 335.854 4.205 50 0 EIAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000072130956 203167328 /nfs/dbraw/zinc/16/73/28/203167328.db2.gz JYQRFUBFLDZYNL-OAHLLOKOSA-N 2 2 335.854 4.205 50 0 EIAALP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)(C)C)cs1 ZINC000095422093 218363775 /nfs/dbraw/zinc/36/37/75/218363775.db2.gz PHOQQWLGAZOYLG-CQSZACIVSA-N 2 2 344.528 4.155 50 0 EIAALP FC(F)C(F)(F)CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095355099 563976692 /nfs/dbraw/zinc/97/66/92/563976692.db2.gz WWLHRMSNFIDJHQ-AWEZNQCLSA-N 2 2 347.400 4.153 50 0 EIAALP FC(F)C(F)(F)CC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095355099 563976693 /nfs/dbraw/zinc/97/66/93/563976693.db2.gz WWLHRMSNFIDJHQ-AWEZNQCLSA-N 2 2 347.400 4.153 50 0 EIAALP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)s1 ZINC000095420153 564139890 /nfs/dbraw/zinc/13/98/90/564139890.db2.gz ZOHFTIHYOPXZAO-ZDUSSCGKSA-N 2 2 331.872 4.497 50 0 EIAALP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCO2 ZINC000095420162 564139916 /nfs/dbraw/zinc/13/99/16/564139916.db2.gz DZULSJUXHUJJSJ-OAQYLSRUSA-N 2 2 347.462 4.107 50 0 EIAALP CCc1cccc2c(C[NH2+]CCn3c(C)[nH+]c4ccccc43)c[nH]c21 ZINC000009613785 564174344 /nfs/dbraw/zinc/17/43/44/564174344.db2.gz KYRAUVGWLFWQAA-UHFFFAOYSA-N 2 2 332.451 4.178 50 0 EIAALP Cc1ccc2c(c1)c1c(n2CCc2ccc(C)[nH+]c2)CCC[N@@H+](C)C1 ZINC000075567331 203318688 /nfs/dbraw/zinc/31/86/88/203318688.db2.gz MOAZAZMSTNXWJY-UHFFFAOYSA-N 2 2 333.479 4.274 50 0 EIAALP Cc1ccc2c(c1)c1c(n2CCc2ccc(C)[nH+]c2)CCC[N@H+](C)C1 ZINC000075567331 203318689 /nfs/dbraw/zinc/31/86/89/203318689.db2.gz MOAZAZMSTNXWJY-UHFFFAOYSA-N 2 2 333.479 4.274 50 0 EIAALP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000000317640 563283398 /nfs/dbraw/zinc/28/33/98/563283398.db2.gz PDRGLESYZMBCSX-UHFFFAOYSA-N 2 2 338.495 4.182 50 0 EIAALP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000000317640 563283400 /nfs/dbraw/zinc/28/34/00/563283400.db2.gz PDRGLESYZMBCSX-UHFFFAOYSA-N 2 2 338.495 4.182 50 0 EIAALP Clc1cccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000004744581 563509899 /nfs/dbraw/zinc/50/98/99/563509899.db2.gz PHHGTFKDKJELBL-UHFFFAOYSA-N 2 2 340.898 4.363 50 0 EIAALP Clc1cccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000004744581 563509904 /nfs/dbraw/zinc/50/99/04/563509904.db2.gz PHHGTFKDKJELBL-UHFFFAOYSA-N 2 2 340.898 4.363 50 0 EIAALP CCOc1ccc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000078725063 564000890 /nfs/dbraw/zinc/00/08/90/564000890.db2.gz DNESPELDLGHKMY-KRWDZBQOSA-N 2 2 326.484 4.304 50 0 EIAALP Fc1cccc(Cl)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000058165457 564035600 /nfs/dbraw/zinc/03/56/00/564035600.db2.gz SAJLSNUPASGUQM-UHFFFAOYSA-N 2 2 332.850 4.233 50 0 EIAALP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)c1nc(C)cs1 ZINC000084022415 564065837 /nfs/dbraw/zinc/06/58/37/564065837.db2.gz DFUKOAWXQZYSEQ-QGZVFWFLSA-N 2 2 326.469 4.187 50 0 EIAALP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000095968780 564143249 /nfs/dbraw/zinc/14/32/49/564143249.db2.gz HYZZAHPORYEQDE-CYBMUJFWSA-N 2 2 326.469 4.105 50 0 EIAALP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000095968779 564143264 /nfs/dbraw/zinc/14/32/64/564143264.db2.gz HYZZAHPORYEQDE-ZDUSSCGKSA-N 2 2 326.469 4.105 50 0 EIAALP CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(COc2cc[nH+]cc2)C1 ZINC000257195728 1022776363 /nfs/dbraw/zinc/77/63/63/1022776363.db2.gz WTNYAERFADSZAT-OAQYLSRUSA-N 2 2 340.467 4.161 50 0 EIAALP CCOc1ccccc1C[N@H+]1CCC[C@@](C)(COc2cc[nH+]cc2)C1 ZINC000257195728 1022776376 /nfs/dbraw/zinc/77/63/76/1022776376.db2.gz WTNYAERFADSZAT-OAQYLSRUSA-N 2 2 340.467 4.161 50 0 EIAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000575547527 1045255798 /nfs/dbraw/zinc/25/57/98/1045255798.db2.gz HJZVLWVXGQSUES-LJQANCHMSA-N 2 2 346.478 4.166 50 0 EIAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000575547527 1045255806 /nfs/dbraw/zinc/25/58/06/1045255806.db2.gz HJZVLWVXGQSUES-LJQANCHMSA-N 2 2 346.478 4.166 50 0 EIAALP FC(F)(F)c1ccccc1[C@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022106223 202080313 /nfs/dbraw/zinc/08/03/13/202080313.db2.gz BVUVQBAYRZKXCJ-SFHVURJKSA-N 2 2 334.385 4.090 50 0 EIAALP FC(F)(F)c1ccccc1[C@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000022106223 202080316 /nfs/dbraw/zinc/08/03/16/202080316.db2.gz BVUVQBAYRZKXCJ-SFHVURJKSA-N 2 2 334.385 4.090 50 0 EIAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000072130955 203166864 /nfs/dbraw/zinc/16/68/64/203166864.db2.gz JYQRFUBFLDZYNL-HNNXBMFYSA-N 2 2 335.854 4.205 50 0 EIAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000072130955 203166867 /nfs/dbraw/zinc/16/68/67/203166867.db2.gz JYQRFUBFLDZYNL-HNNXBMFYSA-N 2 2 335.854 4.205 50 0 EIAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072149770 203172743 /nfs/dbraw/zinc/17/27/43/203172743.db2.gz CHPLHPLBHHJHHV-HNNXBMFYSA-N 2 2 342.874 4.238 50 0 EIAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072149770 203172748 /nfs/dbraw/zinc/17/27/48/203172748.db2.gz CHPLHPLBHHJHHV-HNNXBMFYSA-N 2 2 342.874 4.238 50 0 EIAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccn3)cc2)c[nH+]1 ZINC000077505989 203391908 /nfs/dbraw/zinc/39/19/08/203391908.db2.gz BIMFAIGQAXVNNU-OAQYLSRUSA-N 2 2 346.478 4.390 50 0 EIAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)c[nH+]1 ZINC000077505989 203391911 /nfs/dbraw/zinc/39/19/11/203391911.db2.gz BIMFAIGQAXVNNU-OAQYLSRUSA-N 2 2 346.478 4.390 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncc(C(C)(C)C)o2)cc1 ZINC000097033728 563966860 /nfs/dbraw/zinc/96/68/60/563966860.db2.gz PLLZWPYEZQEIFV-CQSZACIVSA-N 2 2 338.455 4.317 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncc(C(C)(C)C)o2)cc1 ZINC000097033729 563966875 /nfs/dbraw/zinc/96/68/75/563966875.db2.gz PLLZWPYEZQEIFV-AWEZNQCLSA-N 2 2 338.455 4.317 50 0 EIAALP CCC(CC)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095355024 563976708 /nfs/dbraw/zinc/97/67/08/563976708.db2.gz SWNPVJSGHHGCAU-MRXNPFEDSA-N 2 2 332.517 4.004 50 0 EIAALP CCC(CC)C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095355024 563976709 /nfs/dbraw/zinc/97/67/09/563976709.db2.gz SWNPVJSGHHGCAU-MRXNPFEDSA-N 2 2 332.517 4.004 50 0 EIAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2csc(CC)n2)C1 ZINC000095379109 563976898 /nfs/dbraw/zinc/97/68/98/563976898.db2.gz OIQIERBEIIWLLZ-OAHLLOKOSA-N 2 2 332.517 4.082 50 0 EIAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2csc(CC)n2)C1 ZINC000095379109 563976899 /nfs/dbraw/zinc/97/68/99/563976899.db2.gz OIQIERBEIIWLLZ-OAHLLOKOSA-N 2 2 332.517 4.082 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cn1 ZINC000048782353 564032185 /nfs/dbraw/zinc/03/21/85/564032185.db2.gz ZHHNSZYONHQTOS-UHFFFAOYSA-N 2 2 328.419 4.019 50 0 EIAALP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000090667706 564085836 /nfs/dbraw/zinc/08/58/36/564085836.db2.gz HFUDNXZUWOLPKJ-HZPDHXFCSA-N 2 2 327.472 4.113 50 0 EIAALP Fc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000096013543 564144808 /nfs/dbraw/zinc/14/48/08/564144808.db2.gz IRSTYNNTMFFZIQ-NHCUHLMSSA-N 2 2 335.426 4.431 50 0 EIAALP C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023625028 212385903 /nfs/dbraw/zinc/38/59/03/212385903.db2.gz ZJKQOGCKAOYQDK-MRXNPFEDSA-N 2 2 328.419 4.271 50 0 EIAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111607 241165996 /nfs/dbraw/zinc/16/59/96/241165996.db2.gz KLLQXYDMVSOXJS-OAHLLOKOSA-N 2 2 340.858 4.001 50 0 EIAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111607 241166003 /nfs/dbraw/zinc/16/60/03/241166003.db2.gz KLLQXYDMVSOXJS-OAHLLOKOSA-N 2 2 340.858 4.001 50 0 EIAALP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072159407 203175833 /nfs/dbraw/zinc/17/58/33/203175833.db2.gz ZRZQHJBXCHSSLF-AWEZNQCLSA-N 2 2 332.385 4.151 50 0 EIAALP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072159407 203175836 /nfs/dbraw/zinc/17/58/36/203175836.db2.gz ZRZQHJBXCHSSLF-AWEZNQCLSA-N 2 2 332.385 4.151 50 0 EIAALP Cc1c(C[N@H+]2CCCC[C@H]2CCc2[nH+]ccn2C)[nH]c2ccccc12 ZINC000077322142 203379751 /nfs/dbraw/zinc/37/97/51/203379751.db2.gz JBDJHUWPHOPABY-KRWDZBQOSA-N 2 2 336.483 4.197 50 0 EIAALP Cc1c(C[N@@H+]2CCCC[C@H]2CCc2[nH+]ccn2C)[nH]c2ccccc12 ZINC000077322142 203379755 /nfs/dbraw/zinc/37/97/55/203379755.db2.gz JBDJHUWPHOPABY-KRWDZBQOSA-N 2 2 336.483 4.197 50 0 EIAALP CSc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000002734447 563609795 /nfs/dbraw/zinc/60/97/95/563609795.db2.gz JAJAPLOTFAAULU-IRXDYDNUSA-N 2 2 332.557 4.351 50 0 EIAALP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2cnccc21 ZINC000067784954 563962734 /nfs/dbraw/zinc/96/27/34/563962734.db2.gz RGXYXUIGHCIZLW-UHFFFAOYSA-N 2 2 328.419 4.053 50 0 EIAALP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2cnccc21 ZINC000067784954 563962735 /nfs/dbraw/zinc/96/27/35/563962735.db2.gz RGXYXUIGHCIZLW-UHFFFAOYSA-N 2 2 328.419 4.053 50 0 EIAALP Clc1cncc(Cl)c1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077555972 563970333 /nfs/dbraw/zinc/97/03/33/563970333.db2.gz HJAPRLGNWDPINW-ZDUSSCGKSA-N 2 2 339.270 4.030 50 0 EIAALP Clc1cncc(Cl)c1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077555972 563970334 /nfs/dbraw/zinc/97/03/34/563970334.db2.gz HJAPRLGNWDPINW-ZDUSSCGKSA-N 2 2 339.270 4.030 50 0 EIAALP Fc1cc(C[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)cc(F)c1F ZINC000082086594 563972003 /nfs/dbraw/zinc/97/20/03/563972003.db2.gz ZKIAIPMMBJBIBN-UHFFFAOYSA-N 2 2 349.400 4.090 50 0 EIAALP Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)s1 ZINC000095420149 564139898 /nfs/dbraw/zinc/13/98/98/564139898.db2.gz TUTAHXJJZZATQT-OAHLLOKOSA-N 2 2 325.481 4.461 50 0 EIAALP Fc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000096013540 564144779 /nfs/dbraw/zinc/14/47/79/564144779.db2.gz IRSTYNNTMFFZIQ-SFTDATJTSA-N 2 2 335.426 4.431 50 0 EIAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358403 563976769 /nfs/dbraw/zinc/97/67/69/563976769.db2.gz XMWWZUTZKILZME-INIZCTEOSA-N 2 2 349.425 4.445 50 0 EIAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358403 563976770 /nfs/dbraw/zinc/97/67/70/563976770.db2.gz XMWWZUTZKILZME-INIZCTEOSA-N 2 2 349.425 4.445 50 0 EIAALP CCOc1ccc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000078725066 564000903 /nfs/dbraw/zinc/00/09/03/564000903.db2.gz DNESPELDLGHKMY-QGZVFWFLSA-N 2 2 326.484 4.304 50 0 EIAALP COc1cccc([C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)[NH+]2CCCC2)c1 ZINC000240412853 564051769 /nfs/dbraw/zinc/05/17/69/564051769.db2.gz FOIMWMIQNOVCHL-QFIPXVFZSA-N 2 2 349.478 4.103 50 0 EIAALP c1ccc2c(c1)cccc2OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000065041109 564100048 /nfs/dbraw/zinc/10/00/48/564100048.db2.gz KMQDMJOJAYXPSQ-UHFFFAOYSA-N 2 2 338.495 4.169 50 0 EIAALP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095420157 564139893 /nfs/dbraw/zinc/13/98/93/564139893.db2.gz XDCXRUDSFLQJRN-QGZVFWFLSA-N 2 2 335.451 4.099 50 0 EIAALP c1ccc(N2CCC([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)CC2)[nH+]c1 ZINC000095420312 564139936 /nfs/dbraw/zinc/13/99/36/564139936.db2.gz GJSNSKXDTNLZLY-LJQANCHMSA-N 2 2 349.478 4.087 50 0 EIAALP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)c1 ZINC000014957512 1044787591 /nfs/dbraw/zinc/78/75/91/1044787591.db2.gz LCFVBXMLMVRVID-QFIPXVFZSA-N 2 2 338.495 4.200 50 0 EIAALP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c1 ZINC000014957512 1044787605 /nfs/dbraw/zinc/78/76/05/1044787605.db2.gz LCFVBXMLMVRVID-QFIPXVFZSA-N 2 2 338.495 4.200 50 0 EIAALP c1coc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)c1 ZINC000014957512 1044787620 /nfs/dbraw/zinc/78/76/20/1044787620.db2.gz LCFVBXMLMVRVID-QFIPXVFZSA-N 2 2 338.495 4.200 50 0 EIAALP c1coc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)c1 ZINC000014957512 1044787635 /nfs/dbraw/zinc/78/76/35/1044787635.db2.gz LCFVBXMLMVRVID-QFIPXVFZSA-N 2 2 338.495 4.200 50 0 EIAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000575547526 1045256581 /nfs/dbraw/zinc/25/65/81/1045256581.db2.gz HJZVLWVXGQSUES-IBGZPJMESA-N 2 2 346.478 4.166 50 0 EIAALP Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000575547526 1045256593 /nfs/dbraw/zinc/25/65/93/1045256593.db2.gz HJZVLWVXGQSUES-IBGZPJMESA-N 2 2 346.478 4.166 50 0 EIAALP Cc1cc(-c2cccc(-c3ccn(Cc4c[nH+]cn4C)n3)c2)cc(C)[nH+]1 ZINC000020538062 202047277 /nfs/dbraw/zinc/04/72/77/202047277.db2.gz HZMZEAHNVDTDIG-UHFFFAOYSA-N 2 2 343.434 4.011 50 0 EIAALP C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023625031 212386332 /nfs/dbraw/zinc/38/63/32/212386332.db2.gz ZJKQOGCKAOYQDK-INIZCTEOSA-N 2 2 328.419 4.271 50 0 EIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(F)cc1 ZINC000003612413 563487177 /nfs/dbraw/zinc/48/71/77/563487177.db2.gz RRCXZTFMKZBETB-UHFFFAOYSA-N 2 2 340.446 4.129 50 0 EIAALP Cc1ccccc1OCCCCn1c(CCC[NH3+])[nH+]c2ccccc21 ZINC000012463130 563661542 /nfs/dbraw/zinc/66/15/42/563661542.db2.gz LGJPTYSEQDRWDU-UHFFFAOYSA-N 2 2 337.467 4.095 50 0 EIAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(CCC)[nH+]c(C)n2)C1 ZINC000095502968 563977092 /nfs/dbraw/zinc/97/70/92/563977092.db2.gz XUKSKSSBSSRXMX-QGZVFWFLSA-N 2 2 341.503 4.118 50 0 EIAALP CC(C)n1cc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)s2)cn1 ZINC000222942036 564038444 /nfs/dbraw/zinc/03/84/44/564038444.db2.gz ZZFQTDDADGPAGT-UHFFFAOYSA-N 2 2 346.544 4.143 50 0 EIAALP CC(C)n1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)s2)cn1 ZINC000222942036 564038445 /nfs/dbraw/zinc/03/84/45/564038445.db2.gz ZZFQTDDADGPAGT-UHFFFAOYSA-N 2 2 346.544 4.143 50 0 EIAALP Cc1ccc(CCn2c3ccc(F)cc3c3c2CCC[N@@H+](C)C3)c[nH+]1 ZINC000075567473 203318566 /nfs/dbraw/zinc/31/85/66/203318566.db2.gz ZJYMYNTZHZVLCB-UHFFFAOYSA-N 2 2 337.442 4.105 50 0 EIAALP Cc1ccc(CCn2c3ccc(F)cc3c3c2CCC[N@H+](C)C3)c[nH+]1 ZINC000075567473 203318569 /nfs/dbraw/zinc/31/85/69/203318569.db2.gz ZJYMYNTZHZVLCB-UHFFFAOYSA-N 2 2 337.442 4.105 50 0 EIAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000091427159 218004381 /nfs/dbraw/zinc/00/43/81/218004381.db2.gz TZDRAPBGRDETQF-UHFFFAOYSA-N 2 2 349.425 4.445 50 0 EIAALP c1c(-c2ccccc2)[nH+]c2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000000092815 563223152 /nfs/dbraw/zinc/22/31/52/563223152.db2.gz SCQUMIOUUYZKTQ-UHFFFAOYSA-N 2 2 344.462 4.442 50 0 EIAALP CSc1ccc(C[NH+]2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000002734445 563609759 /nfs/dbraw/zinc/60/97/59/563609759.db2.gz JAJAPLOTFAAULU-CALCHBBNSA-N 2 2 332.557 4.351 50 0 EIAALP CSc1ccc(C[NH+]2CCC([N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000002734445 563609761 /nfs/dbraw/zinc/60/97/61/563609761.db2.gz JAJAPLOTFAAULU-CALCHBBNSA-N 2 2 332.557 4.351 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484320 563955398 /nfs/dbraw/zinc/95/53/98/563955398.db2.gz FKLACJKOWPDBLI-JKSUJKDBSA-N 2 2 347.915 4.180 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484320 563955399 /nfs/dbraw/zinc/95/53/99/563955399.db2.gz FKLACJKOWPDBLI-JKSUJKDBSA-N 2 2 347.915 4.180 50 0 EIAALP CSc1ccc2[nH+]c(N3CCC([C@H](C)[NH+](C)C)CC3)cc(C)c2c1 ZINC000096163217 563979863 /nfs/dbraw/zinc/97/98/63/563979863.db2.gz WBIUOLSHVLRTHB-HNNXBMFYSA-N 2 2 343.540 4.432 50 0 EIAALP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000093299668 564137417 /nfs/dbraw/zinc/13/74/17/564137417.db2.gz XFFIXJHVPJEJMA-UHFFFAOYSA-N 2 2 338.455 4.041 50 0 EIAALP c1csc(Cn2cccc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563651 564137838 /nfs/dbraw/zinc/13/78/38/564137838.db2.gz GOKAATVCVIMLPS-GOSISDBHSA-N 2 2 343.540 4.048 50 0 EIAALP c1csc(Cn2cccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563651 564137839 /nfs/dbraw/zinc/13/78/39/564137839.db2.gz GOKAATVCVIMLPS-GOSISDBHSA-N 2 2 343.540 4.048 50 0 EIAALP CC(=O)c1ccc(C[NH+]2CCC(c3[nH]c4c(cccc4C)[nH+]3)CC2)cc1 ZINC000072128368 216019710 /nfs/dbraw/zinc/01/97/10/216019710.db2.gz BKNOTHZDPPXLNE-UHFFFAOYSA-N 2 2 347.462 4.454 50 0 EIAALP CC(=O)c1ccc(C[NH+]2CCC(c3[nH]c4cccc(C)c4[nH+]3)CC2)cc1 ZINC000072128368 216019712 /nfs/dbraw/zinc/01/97/12/216019712.db2.gz BKNOTHZDPPXLNE-UHFFFAOYSA-N 2 2 347.462 4.454 50 0 EIAALP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)s1 ZINC000095420154 218360486 /nfs/dbraw/zinc/36/04/86/218360486.db2.gz ZOHFTIHYOPXZAO-CYBMUJFWSA-N 2 2 331.872 4.497 50 0 EIAALP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2ccccc2n1 ZINC000089905145 258066373 /nfs/dbraw/zinc/06/63/73/258066373.db2.gz SWJZHMCQBRRLHF-KRWDZBQOSA-N 2 2 342.446 4.330 50 0 EIAALP Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CCCC[NH+]2CCCC2)[nH+]1 ZINC000065372137 563958487 /nfs/dbraw/zinc/95/84/87/563958487.db2.gz UFGCZCCEWZZARR-UHFFFAOYSA-N 2 2 349.482 4.125 50 0 EIAALP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000126496787 563963341 /nfs/dbraw/zinc/96/33/41/563963341.db2.gz YULWCCRXVZOZAI-ZDUSSCGKSA-N 2 2 326.469 4.050 50 0 EIAALP Cc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)o1 ZINC000000189118 564006025 /nfs/dbraw/zinc/00/60/25/564006025.db2.gz CGEXVAQJSLYJKI-UHFFFAOYSA-N 2 2 338.455 4.036 50 0 EIAALP Fc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCC4)c3[nH+]2)cc1 ZINC000005757311 564031811 /nfs/dbraw/zinc/03/18/11/564031811.db2.gz FTKDSLCZAWWEIS-UHFFFAOYSA-N 2 2 348.425 4.191 50 0 EIAALP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000090667707 564085826 /nfs/dbraw/zinc/08/58/26/564085826.db2.gz HFUDNXZUWOLPKJ-JKSUJKDBSA-N 2 2 327.472 4.113 50 0 EIAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2cc(Cl)ccc2n1 ZINC000952868342 1049678162 /nfs/dbraw/zinc/67/81/62/1049678162.db2.gz LAPLRUFBNBUZOY-GOSISDBHSA-N 2 2 342.874 4.289 50 0 EIAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2cc(Cl)ccc2n1 ZINC000952868343 1049679398 /nfs/dbraw/zinc/67/93/98/1049679398.db2.gz LAPLRUFBNBUZOY-SFHVURJKSA-N 2 2 342.874 4.289 50 0 EIAALP Cc1c(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)[nH]c2ccccc12 ZINC000952986405 1049691857 /nfs/dbraw/zinc/69/18/57/1049691857.db2.gz ZTSRJKOEKAHDIK-UHFFFAOYSA-N 2 2 339.508 4.292 50 0 EIAALP C[N@@H+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055358052 214311961 /nfs/dbraw/zinc/31/19/61/214311961.db2.gz DEJXBUGWCYMJEY-AZUAARDMSA-N 2 2 339.483 4.038 50 0 EIAALP C[N@H+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055358052 214311962 /nfs/dbraw/zinc/31/19/62/214311962.db2.gz DEJXBUGWCYMJEY-AZUAARDMSA-N 2 2 339.483 4.038 50 0 EIAALP C[NH+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055358052 214311963 /nfs/dbraw/zinc/31/19/63/214311963.db2.gz DEJXBUGWCYMJEY-AZUAARDMSA-N 2 2 339.483 4.038 50 0 EIAALP C[NH+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055358052 214311964 /nfs/dbraw/zinc/31/19/64/214311964.db2.gz DEJXBUGWCYMJEY-AZUAARDMSA-N 2 2 339.483 4.038 50 0 EIAALP c1csc(Cn2cccc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563650 218233370 /nfs/dbraw/zinc/23/33/70/218233370.db2.gz GOKAATVCVIMLPS-SFHVURJKSA-N 2 2 343.540 4.048 50 0 EIAALP c1csc(Cn2cccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563650 218233372 /nfs/dbraw/zinc/23/33/72/218233372.db2.gz GOKAATVCVIMLPS-SFHVURJKSA-N 2 2 343.540 4.048 50 0 EIAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2csc(CC)n2)C1 ZINC000095379110 218311682 /nfs/dbraw/zinc/31/16/82/218311682.db2.gz OIQIERBEIIWLLZ-HNNXBMFYSA-N 2 2 332.517 4.082 50 0 EIAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2csc(CC)n2)C1 ZINC000095379110 218311684 /nfs/dbraw/zinc/31/16/84/218311684.db2.gz OIQIERBEIIWLLZ-HNNXBMFYSA-N 2 2 332.517 4.082 50 0 EIAALP CCc1nc(C)sc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095387248 218318804 /nfs/dbraw/zinc/31/88/04/218318804.db2.gz NTEYONVMOZBHPP-HNNXBMFYSA-N 2 2 332.517 4.171 50 0 EIAALP CCc1nc(C)sc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095387248 218318806 /nfs/dbraw/zinc/31/88/06/218318806.db2.gz NTEYONVMOZBHPP-HNNXBMFYSA-N 2 2 332.517 4.171 50 0 EIAALP CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccccc3)[nH+]c21 ZINC000004786120 210278216 /nfs/dbraw/zinc/27/82/16/210278216.db2.gz HMPKOXQVGWHRCO-UHFFFAOYSA-N 2 2 332.451 4.298 50 0 EIAALP Cc1cc([NH+](C)C)cc(C)c1NCc1[nH+]ccn1Cc1ccccc1 ZINC000152356509 564005547 /nfs/dbraw/zinc/00/55/47/564005547.db2.gz YZNBOCPQKCJTDY-UHFFFAOYSA-N 2 2 334.467 4.226 50 0 EIAALP CC(=[NH2+])NCCCCCc1[nH+]c2ccccc2n1Cc1ccccc1 ZINC000041146313 564050295 /nfs/dbraw/zinc/05/02/95/564050295.db2.gz SJFLRKUOFDAINE-UHFFFAOYSA-N 2 2 334.467 4.384 50 0 EIAALP CC1(C)CC([NH2+]Cc2csc(-c3ccsc3)n2)CC(C)(C)[NH2+]1 ZINC000070928272 564174510 /nfs/dbraw/zinc/17/45/10/564174510.db2.gz CBHNLMXMZCDUFU-UHFFFAOYSA-N 2 2 335.542 4.270 50 0 EIAALP C[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000821831565 1044004139 /nfs/dbraw/zinc/00/41/39/1044004139.db2.gz RYZNXHBELIGDNP-KRWDZBQOSA-N 2 2 328.525 4.323 50 0 EIAALP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000191976271 1049232000 /nfs/dbraw/zinc/23/20/00/1049232000.db2.gz YPQWCFOETDOJOO-UHFFFAOYSA-N 2 2 339.483 4.104 50 0 EIAALP Oc1cccc(-c2[nH+]ccn2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000067605572 215166987 /nfs/dbraw/zinc/16/69/87/215166987.db2.gz KYIYTYPYPOTALB-UHFFFAOYSA-N 2 2 333.435 4.093 50 0 EIAALP c1c(-c2ccccc2)n(CC[NH+]2CCCC2)c2[nH+]c3ccccc3n12 ZINC000000067990 209398164 /nfs/dbraw/zinc/39/81/64/209398164.db2.gz FCCVNGXAMLHBOT-UHFFFAOYSA-N 2 2 330.435 4.052 50 0 EIAALP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329420 241119780 /nfs/dbraw/zinc/11/97/80/241119780.db2.gz ZRHUYBHJKJAQAK-IBGZPJMESA-N 2 2 331.891 4.129 50 0 EIAALP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329420 241119783 /nfs/dbraw/zinc/11/97/83/241119783.db2.gz ZRHUYBHJKJAQAK-IBGZPJMESA-N 2 2 331.891 4.129 50 0 EIAALP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329420 241119787 /nfs/dbraw/zinc/11/97/87/241119787.db2.gz ZRHUYBHJKJAQAK-IBGZPJMESA-N 2 2 331.891 4.129 50 0 EIAALP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329420 241119790 /nfs/dbraw/zinc/11/97/90/241119790.db2.gz ZRHUYBHJKJAQAK-IBGZPJMESA-N 2 2 331.891 4.129 50 0 EIAALP C[NH+](C)CC[NH2+]CC[C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020503340 212139957 /nfs/dbraw/zinc/13/99/57/212139957.db2.gz HUTUSNFVJUXFFH-LJQANCHMSA-N 2 2 330.903 4.208 50 0 EIAALP CCOc1ccc(C[NH+]2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000004745734 210268561 /nfs/dbraw/zinc/26/85/61/210268561.db2.gz KGURGDPFABWGJD-QZTJIDSGSA-N 2 2 330.516 4.028 50 0 EIAALP CC(C)(C)c1cn2c3ccccc3[nH+]c2n1CCC[NH+]1CCCCC1 ZINC000000274334 563270223 /nfs/dbraw/zinc/27/02/23/563270223.db2.gz YFDRYCGEOKFMQM-UHFFFAOYSA-N 2 2 338.499 4.463 50 0 EIAALP Clc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082096523 563972115 /nfs/dbraw/zinc/97/21/15/563972115.db2.gz GUHLGSKPTXEWRA-QGZVFWFLSA-N 2 2 329.875 4.326 50 0 EIAALP Clc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082096523 563972116 /nfs/dbraw/zinc/97/21/16/563972116.db2.gz GUHLGSKPTXEWRA-QGZVFWFLSA-N 2 2 329.875 4.326 50 0 EIAALP c1ccc(C[NH2+][C@H]2CCC[N@@H+](CCCc3nc4ccccc4o3)C2)cc1 ZINC000084539312 564068595 /nfs/dbraw/zinc/06/85/95/564068595.db2.gz CORMOUVZLRXHEH-IBGZPJMESA-N 2 2 349.478 4.015 50 0 EIAALP c1ccc(C[NH2+][C@H]2CCC[N@H+](CCCc3nc4ccccc4o3)C2)cc1 ZINC000084539312 564068596 /nfs/dbraw/zinc/06/85/96/564068596.db2.gz CORMOUVZLRXHEH-IBGZPJMESA-N 2 2 349.478 4.015 50 0 EIAALP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)[nH+]1 ZINC000175252673 1038800690 /nfs/dbraw/zinc/80/06/90/1038800690.db2.gz YZQISDCRRPFKCR-JKSUJKDBSA-N 2 2 342.487 4.171 50 0 EIAALP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)[nH+]1 ZINC000175252673 1038800693 /nfs/dbraw/zinc/80/06/93/1038800693.db2.gz YZQISDCRRPFKCR-JKSUJKDBSA-N 2 2 342.487 4.171 50 0 EIAALP c1coc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000078411694 217049875 /nfs/dbraw/zinc/04/98/75/217049875.db2.gz YCGRETONPXSTAQ-UHFFFAOYSA-N 2 2 343.430 4.481 50 0 EIAALP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)s1 ZINC000095420602 218362065 /nfs/dbraw/zinc/36/20/65/218362065.db2.gz WXPQCUQOTUIGKA-ZDUSSCGKSA-N 2 2 326.469 4.105 50 0 EIAALP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000095421525 218362914 /nfs/dbraw/zinc/36/29/14/218362914.db2.gz JHBLWEWLTJIETO-KRWDZBQOSA-N 2 2 349.478 4.186 50 0 EIAALP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000089562805 258066131 /nfs/dbraw/zinc/06/61/31/258066131.db2.gz HKHCHUJBOAYZNF-AWEZNQCLSA-N 2 2 326.469 4.056 50 0 EIAALP C[NH+](C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072159408 563966299 /nfs/dbraw/zinc/96/62/99/563966299.db2.gz ZRZQHJBXCHSSLF-CQSZACIVSA-N 2 2 332.385 4.151 50 0 EIAALP C[NH+](C)CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072159408 563966300 /nfs/dbraw/zinc/96/63/00/563966300.db2.gz ZRZQHJBXCHSSLF-CQSZACIVSA-N 2 2 332.385 4.151 50 0 EIAALP Cc1c(C[N@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)[nH]c2ccccc12 ZINC000077322141 563968960 /nfs/dbraw/zinc/96/89/60/563968960.db2.gz JBDJHUWPHOPABY-QGZVFWFLSA-N 2 2 336.483 4.197 50 0 EIAALP Cc1c(C[N@@H+]2CCCC[C@@H]2CCc2[nH+]ccn2C)[nH]c2ccccc12 ZINC000077322141 563968961 /nfs/dbraw/zinc/96/89/61/563968961.db2.gz JBDJHUWPHOPABY-QGZVFWFLSA-N 2 2 336.483 4.197 50 0 EIAALP c1cn(CCC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)c[nH+]1 ZINC000247969742 564052856 /nfs/dbraw/zinc/05/28/56/564052856.db2.gz HFCUQGFVKWYWEM-UHFFFAOYSA-N 2 2 344.462 4.066 50 0 EIAALP CC(C)(C)C[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cccnc1 ZINC000534585417 564061150 /nfs/dbraw/zinc/06/11/50/564061150.db2.gz GQUZRGKGNMDMLV-FQEVSTJZSA-N 2 2 341.499 4.406 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000090547186 564084661 /nfs/dbraw/zinc/08/46/61/564084661.db2.gz KZIWOMTWDCZWHD-INIZCTEOSA-N 2 2 349.482 4.343 50 0 EIAALP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCOc4cc(Cl)ccc43)n2c1 ZINC000095989231 564144116 /nfs/dbraw/zinc/14/41/16/564144116.db2.gz DHMUFGJUTCXJKS-KRWDZBQOSA-N 2 2 341.842 4.300 50 0 EIAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000575547412 1045255725 /nfs/dbraw/zinc/25/57/25/1045255725.db2.gz BLRXGYBZZUCTLK-GOSISDBHSA-N 2 2 338.499 4.298 50 0 EIAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000575547412 1045255733 /nfs/dbraw/zinc/25/57/33/1045255733.db2.gz BLRXGYBZZUCTLK-GOSISDBHSA-N 2 2 338.499 4.298 50 0 EIAALP Fc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1Cl ZINC000035268964 213017428 /nfs/dbraw/zinc/01/74/28/213017428.db2.gz PDXIQCSKFVFUCK-UHFFFAOYSA-N 2 2 333.794 4.116 50 0 EIAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000214987329 241100495 /nfs/dbraw/zinc/10/04/95/241100495.db2.gz IWHDWNRHRVHTEF-GOSISDBHSA-N 2 2 339.483 4.121 50 0 EIAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000214987329 241100503 /nfs/dbraw/zinc/10/05/03/241100503.db2.gz IWHDWNRHRVHTEF-GOSISDBHSA-N 2 2 339.483 4.121 50 0 EIAALP CCc1c(N)c2c(C)c(C)n(CC[NH+](C)C)c2[nH+]c1-c1ccccc1 ZINC000012390376 211366845 /nfs/dbraw/zinc/36/68/45/211366845.db2.gz WZDMIRCVSVRYOO-UHFFFAOYSA-N 2 2 336.483 4.026 50 0 EIAALP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2ccccc2n1 ZINC000089905146 258066396 /nfs/dbraw/zinc/06/63/96/258066396.db2.gz SWJZHMCQBRRLHF-QGZVFWFLSA-N 2 2 342.446 4.330 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484319 563955366 /nfs/dbraw/zinc/95/53/66/563955366.db2.gz FKLACJKOWPDBLI-HZPDHXFCSA-N 2 2 347.915 4.180 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484319 563955368 /nfs/dbraw/zinc/95/53/68/563955368.db2.gz FKLACJKOWPDBLI-HZPDHXFCSA-N 2 2 347.915 4.180 50 0 EIAALP Fc1ccc([C@@H]2CC[N@@H+]2Cc2ccc(C[NH+]3CCCC3)s2)cc1 ZINC000097814955 563981972 /nfs/dbraw/zinc/98/19/72/563981972.db2.gz FKGQVMVHTWRZLK-IBGZPJMESA-N 2 2 330.472 4.430 50 0 EIAALP Fc1ccc([C@@H]2CC[N@H+]2Cc2ccc(C[NH+]3CCCC3)s2)cc1 ZINC000097814955 563981973 /nfs/dbraw/zinc/98/19/73/563981973.db2.gz FKGQVMVHTWRZLK-IBGZPJMESA-N 2 2 330.472 4.430 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000048782271 564032216 /nfs/dbraw/zinc/03/22/16/564032216.db2.gz GPUUHDFGGGUUAN-UHFFFAOYSA-N 2 2 347.249 4.172 50 0 EIAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685491 564053175 /nfs/dbraw/zinc/05/31/75/564053175.db2.gz FUSJRYUTNLUVHU-NRFANRHFSA-N 2 2 347.506 4.264 50 0 EIAALP c1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCCc3nc4ccccc4o3)C2)cc1 ZINC000084539311 564068621 /nfs/dbraw/zinc/06/86/21/564068621.db2.gz CORMOUVZLRXHEH-LJQANCHMSA-N 2 2 349.478 4.015 50 0 EIAALP c1ccc(C[NH2+][C@@H]2CCC[N@H+](CCCc3nc4ccccc4o3)C2)cc1 ZINC000084539311 564068622 /nfs/dbraw/zinc/06/86/22/564068622.db2.gz CORMOUVZLRXHEH-LJQANCHMSA-N 2 2 349.478 4.015 50 0 EIAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000091986268 218099406 /nfs/dbraw/zinc/09/94/06/218099406.db2.gz MVYFZZBIGVAKOP-UHFFFAOYSA-N 2 2 345.512 4.327 50 0 EIAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358402 218291713 /nfs/dbraw/zinc/29/17/13/218291713.db2.gz XMWWZUTZKILZME-MRXNPFEDSA-N 2 2 349.425 4.445 50 0 EIAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358402 218291716 /nfs/dbraw/zinc/29/17/16/218291716.db2.gz XMWWZUTZKILZME-MRXNPFEDSA-N 2 2 349.425 4.445 50 0 EIAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363194 218295821 /nfs/dbraw/zinc/29/58/21/218295821.db2.gz LRXHMWXUYBKGDA-IBGZPJMESA-N 2 2 349.482 4.029 50 0 EIAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363194 218295824 /nfs/dbraw/zinc/29/58/24/218295824.db2.gz LRXHMWXUYBKGDA-IBGZPJMESA-N 2 2 349.482 4.029 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000095420609 218361382 /nfs/dbraw/zinc/36/13/82/218361382.db2.gz JWGXPNYWUHXCDJ-GOSISDBHSA-N 2 2 338.842 4.006 50 0 EIAALP Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097546547 219033991 /nfs/dbraw/zinc/03/39/91/219033991.db2.gz ZAFYEYIPVKNUHD-HXUWFJFHSA-N 2 2 347.466 4.006 50 0 EIAALP Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097546547 219033993 /nfs/dbraw/zinc/03/39/93/219033993.db2.gz ZAFYEYIPVKNUHD-HXUWFJFHSA-N 2 2 347.466 4.006 50 0 EIAALP CCc1[nH]c(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)c(C)[nH+]1 ZINC000071314928 563964140 /nfs/dbraw/zinc/96/41/40/563964140.db2.gz GYZYKGOIKCYSTE-UHFFFAOYSA-N 2 2 349.482 4.050 50 0 EIAALP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000000546524 564022736 /nfs/dbraw/zinc/02/27/36/564022736.db2.gz YDNNEAXOSLWMBL-UHFFFAOYSA-N 2 2 326.459 4.312 50 0 EIAALP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000000546524 564022737 /nfs/dbraw/zinc/02/27/37/564022737.db2.gz YDNNEAXOSLWMBL-UHFFFAOYSA-N 2 2 326.459 4.312 50 0 EIAALP COCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000095422710 564140130 /nfs/dbraw/zinc/14/01/30/564140130.db2.gz CMUMKEJVHOUKNZ-OAHLLOKOSA-N 2 2 339.414 4.009 50 0 EIAALP Cc1cc([NH2+][C@H](C)CCCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000095945475 564142191 /nfs/dbraw/zinc/14/21/91/564142191.db2.gz OIXJJQWLENGPLZ-CQSZACIVSA-N 2 2 332.410 4.468 50 0 EIAALP Cc1c[nH+]c([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815874 1021885485 /nfs/dbraw/zinc/88/54/85/1021885485.db2.gz JURKRUWWOLTFRX-FQEVSTJZSA-N 2 2 349.453 4.368 50 0 EIAALP Cc1c[nH+]c([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815874 1021885492 /nfs/dbraw/zinc/88/54/92/1021885492.db2.gz JURKRUWWOLTFRX-FQEVSTJZSA-N 2 2 349.453 4.368 50 0 EIAALP S=c1n(C[NH+]2CCCCC2)c2ccccc2n1C[NH+]1CCCCC1 ZINC000003683266 210073938 /nfs/dbraw/zinc/07/39/38/210073938.db2.gz YDRGIXKKJVGSAW-UHFFFAOYSA-N 2 2 344.528 4.059 50 0 EIAALP Cc1ccccc1Oc1ncccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000023338299 212369283 /nfs/dbraw/zinc/36/92/83/212369283.db2.gz HUXSYORBZWBMJS-UHFFFAOYSA-N 2 2 339.483 4.145 50 0 EIAALP Clc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020358201 212122819 /nfs/dbraw/zinc/12/28/19/212122819.db2.gz MQPKSHNJHJHMPA-NHCUHLMSSA-N 2 2 340.898 4.308 50 0 EIAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452087 218008090 /nfs/dbraw/zinc/00/80/90/218008090.db2.gz BYATUTZXMXUBNJ-OAHLLOKOSA-N 2 2 337.389 4.301 50 0 EIAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452087 218008093 /nfs/dbraw/zinc/00/80/93/218008093.db2.gz BYATUTZXMXUBNJ-OAHLLOKOSA-N 2 2 337.389 4.301 50 0 EIAALP c1cn(Cc2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)c[nH+]1 ZINC000095420156 218360517 /nfs/dbraw/zinc/36/05/17/218360517.db2.gz ADZVKHKUAOJZKV-IBGZPJMESA-N 2 2 335.476 4.258 50 0 EIAALP C[C@H](c1[nH+]ccn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000071751355 563965143 /nfs/dbraw/zinc/96/51/43/563965143.db2.gz RBEJIRJUAVBVPO-SFHVURJKSA-N 2 2 346.478 4.267 50 0 EIAALP c1cn(CC2CC2)c([C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH+]1 ZINC000082166414 563972885 /nfs/dbraw/zinc/97/28/85/563972885.db2.gz IFQUTTNFERMKSX-SFHVURJKSA-N 2 2 332.451 4.225 50 0 EIAALP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCOc4cc(Cl)ccc43)n2c1 ZINC000095989230 564144081 /nfs/dbraw/zinc/14/40/81/564144081.db2.gz DHMUFGJUTCXJKS-QGZVFWFLSA-N 2 2 341.842 4.300 50 0 EIAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000096477815 564148500 /nfs/dbraw/zinc/14/85/00/564148500.db2.gz HIPXPRGUIYLXAL-AYOQOUSVSA-N 2 2 341.524 4.021 50 0 EIAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000096477815 564148501 /nfs/dbraw/zinc/14/85/01/564148501.db2.gz HIPXPRGUIYLXAL-AYOQOUSVSA-N 2 2 341.524 4.021 50 0 EIAALP CCc1ccc(C[NH2+]C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000071798761 564175429 /nfs/dbraw/zinc/17/54/29/564175429.db2.gz QCSQSLXFZOLVSA-QFIPXVFZSA-N 2 2 338.495 4.184 50 0 EIAALP Cc1c[nH+]c([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815758 1021884383 /nfs/dbraw/zinc/88/43/83/1021884383.db2.gz IHWXTPDTNSXNIT-OAQYLSRUSA-N 2 2 331.463 4.229 50 0 EIAALP Cc1c[nH+]c([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815758 1021884386 /nfs/dbraw/zinc/88/43/86/1021884386.db2.gz IHWXTPDTNSXNIT-OAQYLSRUSA-N 2 2 331.463 4.229 50 0 EIAALP C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000952871749 1049679854 /nfs/dbraw/zinc/67/98/54/1049679854.db2.gz DDJPBZHCQBIOQC-MRXNPFEDSA-N 2 2 329.513 4.112 50 0 EIAALP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)c[nH+]1 ZINC000025363906 563883951 /nfs/dbraw/zinc/88/39/51/563883951.db2.gz GLRVLETWZHHSGS-QFIPXVFZSA-N 2 2 340.430 4.147 50 0 EIAALP c1cn(-c2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)c[nH+]1 ZINC000025363910 563884071 /nfs/dbraw/zinc/88/40/71/563884071.db2.gz GLRVLETWZHHSGS-JOCHJYFZSA-N 2 2 340.430 4.147 50 0 EIAALP CC1(C)C[C@H](c2[nH+]ccn2-c2ccccc2C[NH+]2CCCC2)CCO1 ZINC000071776496 563965754 /nfs/dbraw/zinc/96/57/54/563965754.db2.gz IJMNYLWZMJDGIA-QGZVFWFLSA-N 2 2 339.483 4.141 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289831 563971901 /nfs/dbraw/zinc/97/19/01/563971901.db2.gz FKLACJKOWPDBLI-HOTGVXAUSA-N 2 2 347.915 4.180 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289831 563971902 /nfs/dbraw/zinc/97/19/02/563971902.db2.gz FKLACJKOWPDBLI-HOTGVXAUSA-N 2 2 347.915 4.180 50 0 EIAALP CC(C)(C)C[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cccnc1 ZINC000534585419 564061132 /nfs/dbraw/zinc/06/11/32/564061132.db2.gz GQUZRGKGNMDMLV-HXUWFJFHSA-N 2 2 341.499 4.406 50 0 EIAALP CC(C)(C)c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(C(C)(C)C)[nH+]1 ZINC000084241161 564067486 /nfs/dbraw/zinc/06/74/86/564067486.db2.gz AOWDOSCJXAQQPQ-UHFFFAOYSA-N 2 2 341.503 4.179 50 0 EIAALP c1cc(OC[C@H]2CCC3(CC[NH+](CC4CCCCC4)CC3)O2)cc[nH+]1 ZINC000257173957 1022564583 /nfs/dbraw/zinc/56/45/83/1022564583.db2.gz ATEHEMAPKSSFJB-HXUWFJFHSA-N 2 2 344.499 4.054 50 0 EIAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000575547413 1045256507 /nfs/dbraw/zinc/25/65/07/1045256507.db2.gz BLRXGYBZZUCTLK-SFHVURJKSA-N 2 2 338.499 4.298 50 0 EIAALP Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000575547413 1045256518 /nfs/dbraw/zinc/25/65/18/1045256518.db2.gz BLRXGYBZZUCTLK-SFHVURJKSA-N 2 2 338.499 4.298 50 0 EIAALP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000527681154 1053472268 /nfs/dbraw/zinc/47/22/68/1053472268.db2.gz HQZRDEYTFNYSPM-HNNXBMFYSA-N 2 2 339.474 4.268 50 0 EIAALP Cc1c[nH+]c([C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815757 1060021889 /nfs/dbraw/zinc/02/18/89/1060021889.db2.gz IHWXTPDTNSXNIT-NRFANRHFSA-N 2 2 331.463 4.229 50 0 EIAALP Cc1c[nH+]c([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815757 1060021905 /nfs/dbraw/zinc/02/19/05/1060021905.db2.gz IHWXTPDTNSXNIT-NRFANRHFSA-N 2 2 331.463 4.229 50 0 EIAALP Cc1nc([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC000067803430 215215577 /nfs/dbraw/zinc/21/55/77/215215577.db2.gz IYXIPVVZTIYXLY-ZDUSSCGKSA-N 2 2 326.469 4.139 50 0 EIAALP Cc1nc([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC000067803430 215215579 /nfs/dbraw/zinc/21/55/79/215215579.db2.gz IYXIPVVZTIYXLY-ZDUSSCGKSA-N 2 2 326.469 4.139 50 0 EIAALP CCc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)s2)nc1 ZINC000216484528 241193897 /nfs/dbraw/zinc/19/38/97/241193897.db2.gz WKSFALWAMSLPJY-UHFFFAOYSA-N 2 2 343.540 4.323 50 0 EIAALP CCc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)s2)nc1 ZINC000216484528 241193902 /nfs/dbraw/zinc/19/39/02/241193902.db2.gz WKSFALWAMSLPJY-UHFFFAOYSA-N 2 2 343.540 4.323 50 0 EIAALP C[NH+](C)CC[NH2+]CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020590018 212149543 /nfs/dbraw/zinc/14/95/43/212149543.db2.gz OQOVZVDROYLCSG-IBGZPJMESA-N 2 2 334.866 4.152 50 0 EIAALP Cc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000004997707 210353851 /nfs/dbraw/zinc/35/38/51/210353851.db2.gz UMZVQGFCESCERS-UHFFFAOYSA-N 2 2 348.494 4.443 50 0 EIAALP CC1(C)C[C@@H](c2[nH+]ccn2-c2ccccc2C[NH+]2CCCC2)CCO1 ZINC000071776497 563965746 /nfs/dbraw/zinc/96/57/46/563965746.db2.gz IJMNYLWZMJDGIA-KRWDZBQOSA-N 2 2 339.483 4.141 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3o2)cc1 ZINC000097081919 563967254 /nfs/dbraw/zinc/96/72/54/563967254.db2.gz UKBNGOMVJXDTCU-CQSZACIVSA-N 2 2 332.407 4.173 50 0 EIAALP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)c1nc(C)cs1 ZINC000084022413 564065815 /nfs/dbraw/zinc/06/58/15/564065815.db2.gz DFUKOAWXQZYSEQ-KRWDZBQOSA-N 2 2 326.469 4.187 50 0 EIAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4ccnc(C(C)C)n4)CC3)[nH]c21 ZINC000072140515 216026982 /nfs/dbraw/zinc/02/69/82/216026982.db2.gz NRLDETPQTHLVAY-UHFFFAOYSA-N 2 2 349.482 4.164 50 0 EIAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4ccnc(C(C)C)n4)CC3)[nH+]c21 ZINC000072140515 216026984 /nfs/dbraw/zinc/02/69/84/216026984.db2.gz NRLDETPQTHLVAY-UHFFFAOYSA-N 2 2 349.482 4.164 50 0 EIAALP Clc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020358204 212122553 /nfs/dbraw/zinc/12/25/53/212122553.db2.gz MQPKSHNJHJHMPA-SFTDATJTSA-N 2 2 340.898 4.308 50 0 EIAALP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000012202425 211320565 /nfs/dbraw/zinc/32/05/65/211320565.db2.gz CDOGWAOIKGSAAG-HXUWFJFHSA-N 2 2 334.454 4.219 50 0 EIAALP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000012202425 211320569 /nfs/dbraw/zinc/32/05/69/211320569.db2.gz CDOGWAOIKGSAAG-HXUWFJFHSA-N 2 2 334.454 4.219 50 0 EIAALP CC(C)=CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012202425 211320573 /nfs/dbraw/zinc/32/05/73/211320573.db2.gz CDOGWAOIKGSAAG-HXUWFJFHSA-N 2 2 334.454 4.219 50 0 EIAALP CC(C)=CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012202425 211320575 /nfs/dbraw/zinc/32/05/75/211320575.db2.gz CDOGWAOIKGSAAG-HXUWFJFHSA-N 2 2 334.454 4.219 50 0 EIAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000245304966 258000392 /nfs/dbraw/zinc/00/03/92/258000392.db2.gz HIPXPRGUIYLXAL-ATZDWAIDSA-N 2 2 341.524 4.021 50 0 EIAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000245304966 258000393 /nfs/dbraw/zinc/00/03/93/258000393.db2.gz HIPXPRGUIYLXAL-ATZDWAIDSA-N 2 2 341.524 4.021 50 0 EIAALP CCCCn1cc[nH+]c1C1CCN(c2ccc(CSC)c[nH+]2)CC1 ZINC000095507228 563977168 /nfs/dbraw/zinc/97/71/68/563977168.db2.gz KYAPAGHQXFFSCM-UHFFFAOYSA-N 2 2 344.528 4.325 50 0 EIAALP CCOc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000000207716 563998265 /nfs/dbraw/zinc/99/82/65/563998265.db2.gz PSPQYQCAIXEOBG-UHFFFAOYSA-N 2 2 338.495 4.182 50 0 EIAALP CCOc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000000207716 563998266 /nfs/dbraw/zinc/99/82/66/563998266.db2.gz PSPQYQCAIXEOBG-UHFFFAOYSA-N 2 2 338.495 4.182 50 0 EIAALP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)[nH+]1 ZINC000175252652 1038800813 /nfs/dbraw/zinc/80/08/13/1038800813.db2.gz YZQISDCRRPFKCR-HOTGVXAUSA-N 2 2 342.487 4.171 50 0 EIAALP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)[nH+]1 ZINC000175252652 1038800821 /nfs/dbraw/zinc/80/08/21/1038800821.db2.gz YZQISDCRRPFKCR-HOTGVXAUSA-N 2 2 342.487 4.171 50 0 EIAALP CCc1ccc(C[NH2+]C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000071798762 215835132 /nfs/dbraw/zinc/83/51/32/215835132.db2.gz QCSQSLXFZOLVSA-JOCHJYFZSA-N 2 2 338.495 4.184 50 0 EIAALP Cc1cc(Cl)cc2c(N3CCC(c4[nH]cc[nH+]4)CC3)cc[nH+]c12 ZINC000072477632 216255459 /nfs/dbraw/zinc/25/54/59/216255459.db2.gz BRWKZZYJGZMOTF-UHFFFAOYSA-N 2 2 326.831 4.304 50 0 EIAALP Clc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000022772014 212323477 /nfs/dbraw/zinc/32/34/77/212323477.db2.gz HOBLZEIUWLCYLJ-UHFFFAOYSA-N 2 2 332.234 4.469 50 0 EIAALP Cc1ccc(-c2cccc(C[NH+]3CCC(c4[nH+]ccn4C)CC3)c2)o1 ZINC000214997663 241100225 /nfs/dbraw/zinc/10/02/25/241100225.db2.gz LBXDHEHRQWSKTI-UHFFFAOYSA-N 2 2 335.451 4.368 50 0 EIAALP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329466 241121311 /nfs/dbraw/zinc/12/13/11/241121311.db2.gz ZRHUYBHJKJAQAK-LJQANCHMSA-N 2 2 331.891 4.129 50 0 EIAALP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329466 241121314 /nfs/dbraw/zinc/12/13/14/241121314.db2.gz ZRHUYBHJKJAQAK-LJQANCHMSA-N 2 2 331.891 4.129 50 0 EIAALP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329466 241121317 /nfs/dbraw/zinc/12/13/17/241121317.db2.gz ZRHUYBHJKJAQAK-LJQANCHMSA-N 2 2 331.891 4.129 50 0 EIAALP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329466 241121320 /nfs/dbraw/zinc/12/13/20/241121320.db2.gz ZRHUYBHJKJAQAK-LJQANCHMSA-N 2 2 331.891 4.129 50 0 EIAALP CCC(CC)C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095355023 218289423 /nfs/dbraw/zinc/28/94/23/218289423.db2.gz SWNPVJSGHHGCAU-INIZCTEOSA-N 2 2 332.517 4.004 50 0 EIAALP CCC(CC)C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095355023 218289425 /nfs/dbraw/zinc/28/94/25/218289425.db2.gz SWNPVJSGHHGCAU-INIZCTEOSA-N 2 2 332.517 4.004 50 0 EIAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245304969 258000358 /nfs/dbraw/zinc/00/03/58/258000358.db2.gz HIPXPRGUIYLXAL-MNEFBYGVSA-N 2 2 341.524 4.021 50 0 EIAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245304969 258000359 /nfs/dbraw/zinc/00/03/59/258000359.db2.gz HIPXPRGUIYLXAL-MNEFBYGVSA-N 2 2 341.524 4.021 50 0 EIAALP Cc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCCC2)cc1 ZINC000000240862 563265037 /nfs/dbraw/zinc/26/50/37/563265037.db2.gz IXAMFJHLLOPSJF-UHFFFAOYSA-N 2 2 344.462 4.360 50 0 EIAALP CC1(C)C[C@@H](c2[nH+]ccn2CC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000071747977 563964996 /nfs/dbraw/zinc/96/49/96/563964996.db2.gz GVLVEVRYBBGOFZ-SFHVURJKSA-N 2 2 345.531 4.210 50 0 EIAALP CC1(C)C[C@H](c2[nH+]ccn2CC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000071747976 563965018 /nfs/dbraw/zinc/96/50/18/563965018.db2.gz GVLVEVRYBBGOFZ-GOSISDBHSA-N 2 2 345.531 4.210 50 0 EIAALP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000097009612 563966652 /nfs/dbraw/zinc/96/66/52/563966652.db2.gz WHGOYLYBXBVTMZ-HBFSDRIKSA-N 2 2 330.516 4.055 50 0 EIAALP Clc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082096522 563972121 /nfs/dbraw/zinc/97/21/21/563972121.db2.gz GUHLGSKPTXEWRA-KRWDZBQOSA-N 2 2 329.875 4.326 50 0 EIAALP Clc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082096522 563972122 /nfs/dbraw/zinc/97/21/22/563972122.db2.gz GUHLGSKPTXEWRA-KRWDZBQOSA-N 2 2 329.875 4.326 50 0 EIAALP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667704 564085848 /nfs/dbraw/zinc/08/58/48/564085848.db2.gz HFUDNXZUWOLPKJ-CVEARBPZSA-N 2 2 327.472 4.113 50 0 EIAALP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000089905379 564115094 /nfs/dbraw/zinc/11/50/94/564115094.db2.gz MWRLYAKNPBZBAN-CQSZACIVSA-N 2 2 338.480 4.447 50 0 EIAALP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(Cl)c1Cl ZINC000069654789 564171197 /nfs/dbraw/zinc/17/11/97/564171197.db2.gz XFGKLRADGBRZEB-UHFFFAOYSA-N 2 2 347.205 4.135 50 0 EIAALP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]c2ccccc12 ZINC000052407561 214127141 /nfs/dbraw/zinc/12/71/41/214127141.db2.gz AVNKNJRJTIYGIU-UHFFFAOYSA-N 2 2 332.451 4.015 50 0 EIAALP CC(C)=CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012202420 211319882 /nfs/dbraw/zinc/31/98/82/211319882.db2.gz CDOGWAOIKGSAAG-FQEVSTJZSA-N 2 2 334.454 4.219 50 0 EIAALP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000012202420 211319869 /nfs/dbraw/zinc/31/98/69/211319869.db2.gz CDOGWAOIKGSAAG-FQEVSTJZSA-N 2 2 334.454 4.219 50 0 EIAALP CC(C)=CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000012202420 211319875 /nfs/dbraw/zinc/31/98/75/211319875.db2.gz CDOGWAOIKGSAAG-FQEVSTJZSA-N 2 2 334.454 4.219 50 0 EIAALP CC(C)=CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012202420 211319878 /nfs/dbraw/zinc/31/98/78/211319878.db2.gz CDOGWAOIKGSAAG-FQEVSTJZSA-N 2 2 334.454 4.219 50 0 EIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(C)cc1 ZINC000004997703 210354134 /nfs/dbraw/zinc/35/41/34/210354134.db2.gz ULRPEPWOFGDNMO-UHFFFAOYSA-N 2 2 336.483 4.299 50 0 EIAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245304967 258000414 /nfs/dbraw/zinc/00/04/14/258000414.db2.gz HIPXPRGUIYLXAL-LZQZEXGQSA-N 2 2 341.524 4.021 50 0 EIAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245304967 258000416 /nfs/dbraw/zinc/00/04/16/258000416.db2.gz HIPXPRGUIYLXAL-LZQZEXGQSA-N 2 2 341.524 4.021 50 0 EIAALP CSc1ccc(C[NH+]2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000002734446 563609816 /nfs/dbraw/zinc/60/98/16/563609816.db2.gz JAJAPLOTFAAULU-IAGOWNOFSA-N 2 2 332.557 4.351 50 0 EIAALP COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc([NH+](C)C)cc3)c2c1 ZINC000000144069 563987158 /nfs/dbraw/zinc/98/71/58/563987158.db2.gz NVICAXRWBNEKMT-UHFFFAOYSA-N 2 2 335.407 4.139 50 0 EIAALP c1c(-c2ccccc2)n(CCC[NH+]2CCCC2)c2[nH+]c3ccccc3n12 ZINC000000274338 563990124 /nfs/dbraw/zinc/99/01/24/563990124.db2.gz LDIWVFCNNNPNON-UHFFFAOYSA-N 2 2 344.462 4.442 50 0 EIAALP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000007985219 564161807 /nfs/dbraw/zinc/16/18/07/564161807.db2.gz RELYQDMDJWGZNA-UHFFFAOYSA-N 2 2 337.854 4.210 50 0 EIAALP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)CCO2 ZINC000095420161 218360603 /nfs/dbraw/zinc/36/06/03/218360603.db2.gz DZULSJUXHUJJSJ-NRFANRHFSA-N 2 2 347.462 4.107 50 0 EIAALP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)(C)C)cs1 ZINC000095422092 218364385 /nfs/dbraw/zinc/36/43/85/218364385.db2.gz PHOQQWLGAZOYLG-AWEZNQCLSA-N 2 2 344.528 4.155 50 0 EIAALP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095422420 218364801 /nfs/dbraw/zinc/36/48/01/218364801.db2.gz AEJNKCJFWCLTHF-CYBMUJFWSA-N 2 2 347.890 4.260 50 0 EIAALP Cc1cc(C[NH+]2CCN(c3cccc(C(C)C)[nH+]3)CC2)sc1C ZINC000067879622 563962998 /nfs/dbraw/zinc/96/29/98/563962998.db2.gz PDZQZBFOMSRPFV-UHFFFAOYSA-N 2 2 329.513 4.206 50 0 EIAALP C[C@@H](c1[nH+]ccn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000071751356 563965115 /nfs/dbraw/zinc/96/51/15/563965115.db2.gz RBEJIRJUAVBVPO-GOSISDBHSA-N 2 2 346.478 4.267 50 0 EIAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000077470009 563969852 /nfs/dbraw/zinc/96/98/52/563969852.db2.gz PMTCUPGOLKYAGF-INIZCTEOSA-N 2 2 335.854 4.200 50 0 EIAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000077470009 563969853 /nfs/dbraw/zinc/96/98/53/563969853.db2.gz PMTCUPGOLKYAGF-INIZCTEOSA-N 2 2 335.854 4.200 50 0 EIAALP Cc1cc(NCCCn2cc[nH+]c2)c2cc(Br)ccc2[nH+]1 ZINC000075279490 564081447 /nfs/dbraw/zinc/08/14/47/564081447.db2.gz VQYREGXZDRMBLL-UHFFFAOYSA-N 2 2 345.244 4.004 50 0 EIAALP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667705 564085830 /nfs/dbraw/zinc/08/58/30/564085830.db2.gz HFUDNXZUWOLPKJ-HOTGVXAUSA-N 2 2 327.472 4.113 50 0 EIAALP C[NH+](C)Cc1cnc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000347578003 1035598459 /nfs/dbraw/zinc/59/84/59/1035598459.db2.gz CLVPJXLCRHUTRG-LJQANCHMSA-N 2 2 341.524 4.247 50 0 EIAALP C[NH+](C)Cc1cnc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000347578003 1035598486 /nfs/dbraw/zinc/59/84/86/1035598486.db2.gz CLVPJXLCRHUTRG-LJQANCHMSA-N 2 2 341.524 4.247 50 0 EIAALP C[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000821831566 1044004529 /nfs/dbraw/zinc/00/45/29/1044004529.db2.gz RYZNXHBELIGDNP-QGZVFWFLSA-N 2 2 328.525 4.323 50 0 EIAALP FC(F)(F)c1ccccc1[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022028441 212272527 /nfs/dbraw/zinc/27/25/27/212272527.db2.gz BVUVQBAYRZKXCJ-GOSISDBHSA-N 2 2 334.385 4.090 50 0 EIAALP FC(F)(F)c1ccccc1[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000022028441 212272531 /nfs/dbraw/zinc/27/25/31/212272531.db2.gz BVUVQBAYRZKXCJ-GOSISDBHSA-N 2 2 334.385 4.090 50 0 EIAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452088 218008006 /nfs/dbraw/zinc/00/80/06/218008006.db2.gz BYATUTZXMXUBNJ-HNNXBMFYSA-N 2 2 337.389 4.301 50 0 EIAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452088 218008009 /nfs/dbraw/zinc/00/80/09/218008009.db2.gz BYATUTZXMXUBNJ-HNNXBMFYSA-N 2 2 337.389 4.301 50 0 EIAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000091468276 218010859 /nfs/dbraw/zinc/01/08/59/218010859.db2.gz PIVNNANPDUVUDE-UHFFFAOYSA-N 2 2 349.478 4.062 50 0 EIAALP FC(F)C(F)(F)CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095355098 218289266 /nfs/dbraw/zinc/28/92/66/218289266.db2.gz WWLHRMSNFIDJHQ-CQSZACIVSA-N 2 2 347.400 4.153 50 0 EIAALP FC(F)C(F)(F)CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095355098 218289268 /nfs/dbraw/zinc/28/92/68/218289268.db2.gz WWLHRMSNFIDJHQ-CQSZACIVSA-N 2 2 347.400 4.153 50 0 EIAALP CC(C)c1nc(C[N@H+](C)Cc2ccccc2C[NH+]2CCCC2)co1 ZINC000097594805 219037148 /nfs/dbraw/zinc/03/71/48/219037148.db2.gz TYWFEBYUEZSHDK-UHFFFAOYSA-N 2 2 327.472 4.026 50 0 EIAALP CC(C)c1nc(C[N@@H+](C)Cc2ccccc2C[NH+]2CCCC2)co1 ZINC000097594805 219037150 /nfs/dbraw/zinc/03/71/50/219037150.db2.gz TYWFEBYUEZSHDK-UHFFFAOYSA-N 2 2 327.472 4.026 50 0 EIAALP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000361350133 563973025 /nfs/dbraw/zinc/97/30/25/563973025.db2.gz CGIPYIYUGOVGRT-UHFFFAOYSA-N 2 2 340.858 4.230 50 0 EIAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000207705 563998283 /nfs/dbraw/zinc/99/82/83/563998283.db2.gz BNDUEMWETKTLIS-UHFFFAOYSA-N 2 2 328.887 4.436 50 0 EIAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000207705 563998284 /nfs/dbraw/zinc/99/82/84/563998284.db2.gz BNDUEMWETKTLIS-UHFFFAOYSA-N 2 2 328.887 4.436 50 0 EIAALP C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000089905377 564115097 /nfs/dbraw/zinc/11/50/97/564115097.db2.gz MWRLYAKNPBZBAN-AWEZNQCLSA-N 2 2 338.480 4.447 50 0 EIAALP Fc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000096013542 564144797 /nfs/dbraw/zinc/14/47/97/564144797.db2.gz IRSTYNNTMFFZIQ-LEWJYISDSA-N 2 2 335.426 4.431 50 0 EIAALP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)c1 ZINC000014957508 1044787961 /nfs/dbraw/zinc/78/79/61/1044787961.db2.gz LCFVBXMLMVRVID-JOCHJYFZSA-N 2 2 338.495 4.200 50 0 EIAALP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c1 ZINC000014957508 1044787976 /nfs/dbraw/zinc/78/79/76/1044787976.db2.gz LCFVBXMLMVRVID-JOCHJYFZSA-N 2 2 338.495 4.200 50 0 EIAALP c1coc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)c1 ZINC000014957508 1044787997 /nfs/dbraw/zinc/78/79/97/1044787997.db2.gz LCFVBXMLMVRVID-JOCHJYFZSA-N 2 2 338.495 4.200 50 0 EIAALP c1coc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)c1 ZINC000014957508 1044788019 /nfs/dbraw/zinc/78/80/19/1044788019.db2.gz LCFVBXMLMVRVID-JOCHJYFZSA-N 2 2 338.495 4.200 50 0 EIAALP Cc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)s1 ZINC000095420150 218360566 /nfs/dbraw/zinc/36/05/66/218360566.db2.gz TUTAHXJJZZATQT-HNNXBMFYSA-N 2 2 325.481 4.461 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000095420606 218361879 /nfs/dbraw/zinc/36/18/79/218361879.db2.gz YZNYARXSLRGDRB-HNNXBMFYSA-N 2 2 346.434 4.481 50 0 EIAALP CCOc1ccc(C[NH+]2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745722 210268644 /nfs/dbraw/zinc/26/86/44/210268644.db2.gz KGURGDPFABWGJD-HDICACEKSA-N 2 2 330.516 4.028 50 0 EIAALP CCOc1ccc(C[NH+]2CCC([N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745722 210268646 /nfs/dbraw/zinc/26/86/46/210268646.db2.gz KGURGDPFABWGJD-HDICACEKSA-N 2 2 330.516 4.028 50 0 EIAALP Fc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc(F)c1F ZINC000082107849 563972361 /nfs/dbraw/zinc/97/23/61/563972361.db2.gz UJDIEOYWGLNBTH-OAHLLOKOSA-N 2 2 349.400 4.090 50 0 EIAALP Fc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc(F)c1F ZINC000082107849 563972362 /nfs/dbraw/zinc/97/23/62/563972362.db2.gz UJDIEOYWGLNBTH-OAHLLOKOSA-N 2 2 349.400 4.090 50 0 EIAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(CCC)[nH+]c(C)n2)C1 ZINC000095502969 563977088 /nfs/dbraw/zinc/97/70/88/563977088.db2.gz XUKSKSSBSSRXMX-KRWDZBQOSA-N 2 2 341.503 4.118 50 0 EIAALP CC(C)c1noc([C@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000069659877 564171293 /nfs/dbraw/zinc/17/12/93/564171293.db2.gz PAPZDTQULAEQII-ZDUSSCGKSA-N 2 2 339.443 4.010 50 0 EIAALP C[NH+](C)CC[NH2+]CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020590015 212149695 /nfs/dbraw/zinc/14/96/95/212149695.db2.gz OQOVZVDROYLCSG-LJQANCHMSA-N 2 2 334.866 4.152 50 0 EIAALP Cc1[nH]c2ccc(C[NH2+]C3CC[NH+](Cc4ccco4)CC3)cc2c1C ZINC000011878545 211263356 /nfs/dbraw/zinc/26/33/56/211263356.db2.gz UTQGOJZSPCMZIF-UHFFFAOYSA-N 2 2 337.467 4.132 50 0 EIAALP Cc1nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c(C)[nH+]1 ZINC000091860507 218079861 /nfs/dbraw/zinc/07/98/61/218079861.db2.gz SXXYCXPFRHRRHD-UHFFFAOYSA-N 2 2 344.890 4.132 50 0 EIAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363193 218295131 /nfs/dbraw/zinc/29/51/31/218295131.db2.gz LRXHMWXUYBKGDA-LJQANCHMSA-N 2 2 349.482 4.029 50 0 EIAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363193 218295132 /nfs/dbraw/zinc/29/51/32/218295132.db2.gz LRXHMWXUYBKGDA-LJQANCHMSA-N 2 2 349.482 4.029 50 0 EIAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000316976 563283093 /nfs/dbraw/zinc/28/30/93/563283093.db2.gz SOTCFRKCQDYKCC-UHFFFAOYSA-N 2 2 328.887 4.436 50 0 EIAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000316976 563283098 /nfs/dbraw/zinc/28/30/98/563283098.db2.gz SOTCFRKCQDYKCC-UHFFFAOYSA-N 2 2 328.887 4.436 50 0 EIAALP FC(F)(F)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000016662636 563819791 /nfs/dbraw/zinc/81/97/91/563819791.db2.gz UBOCWKZJKVWXEI-UHFFFAOYSA-N 2 2 326.406 4.156 50 0 EIAALP Cc1ccccc1[C@@H]1CCCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000077452620 563969709 /nfs/dbraw/zinc/96/97/09/563969709.db2.gz WEHXPWSPNWQOCZ-LJQANCHMSA-N 2 2 332.451 4.019 50 0 EIAALP Cc1ccccc1[C@H]1CCCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000077452624 563969716 /nfs/dbraw/zinc/96/97/16/563969716.db2.gz WEHXPWSPNWQOCZ-IBGZPJMESA-N 2 2 332.451 4.019 50 0 EIAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccn3)cc2)c[nH+]1 ZINC000077505990 563970105 /nfs/dbraw/zinc/97/01/05/563970105.db2.gz BIMFAIGQAXVNNU-NRFANRHFSA-N 2 2 346.478 4.390 50 0 EIAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccn3)cc2)c[nH+]1 ZINC000077505990 563970106 /nfs/dbraw/zinc/97/01/06/563970106.db2.gz BIMFAIGQAXVNNU-NRFANRHFSA-N 2 2 346.478 4.390 50 0 EIAALP CCc1nc(C)sc1C[NH+]1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082108076 563972325 /nfs/dbraw/zinc/97/23/25/563972325.db2.gz KUAAWEBQLUIFKD-UHFFFAOYSA-N 2 2 344.528 4.000 50 0 EIAALP c1cn(CC2CC2)c([C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH+]1 ZINC000082166418 563972874 /nfs/dbraw/zinc/97/28/74/563972874.db2.gz IFQUTTNFERMKSX-GOSISDBHSA-N 2 2 332.451 4.225 50 0 EIAALP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000008328879 564164499 /nfs/dbraw/zinc/16/44/99/564164499.db2.gz NREGKPGUOZIIGJ-UHFFFAOYSA-N 2 2 343.496 4.234 50 0 EIAALP CCCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1CC ZINC000004043566 210108072 /nfs/dbraw/zinc/10/80/72/210108072.db2.gz XJKGLHXLPKXIDN-UHFFFAOYSA-N 2 2 327.472 4.076 50 0 EIAALP C[NH+](C)CC[NH2+]CC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020503337 212140123 /nfs/dbraw/zinc/14/01/23/212140123.db2.gz HUTUSNFVJUXFFH-IBGZPJMESA-N 2 2 330.903 4.208 50 0 EIAALP CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)[nH+]c21 ZINC000000448290 563318449 /nfs/dbraw/zinc/31/84/49/563318449.db2.gz TZPQSGYXPJUXAC-UHFFFAOYSA-N 2 2 348.450 4.003 50 0 EIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccs1 ZINC000000532368 563343110 /nfs/dbraw/zinc/34/31/10/563343110.db2.gz HVVBHUJVAMEVSU-UHFFFAOYSA-N 2 2 328.485 4.052 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289830 563971865 /nfs/dbraw/zinc/97/18/65/563971865.db2.gz FKLACJKOWPDBLI-CVEARBPZSA-N 2 2 347.915 4.180 50 0 EIAALP Clc1ccc(-c2csc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289830 563971866 /nfs/dbraw/zinc/97/18/66/563971866.db2.gz FKLACJKOWPDBLI-CVEARBPZSA-N 2 2 347.915 4.180 50 0 EIAALP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000108457630 564028269 /nfs/dbraw/zinc/02/82/69/564028269.db2.gz WHGOYLYBXBVTMZ-QWFCFKBJSA-N 2 2 330.516 4.055 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cn1 ZINC000048782304 564032181 /nfs/dbraw/zinc/03/21/81/564032181.db2.gz KJMWIGKOMBVWLS-UHFFFAOYSA-N 2 2 347.249 4.172 50 0 EIAALP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(Cl)c1 ZINC000152466802 564112189 /nfs/dbraw/zinc/11/21/89/564112189.db2.gz FKRRQIJGAKBZKD-HNNXBMFYSA-N 2 2 329.875 4.050 50 0 EIAALP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1Cl ZINC000253430738 564131354 /nfs/dbraw/zinc/13/13/54/564131354.db2.gz FSSFFUKCCHVZJT-UHFFFAOYSA-N 2 2 328.218 4.166 50 0 EIAALP Cc1c[nH+]c([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815875 1021884730 /nfs/dbraw/zinc/88/47/30/1021884730.db2.gz JURKRUWWOLTFRX-HXUWFJFHSA-N 2 2 349.453 4.368 50 0 EIAALP Cc1c[nH+]c([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815875 1021884733 /nfs/dbraw/zinc/88/47/33/1021884733.db2.gz JURKRUWWOLTFRX-HXUWFJFHSA-N 2 2 349.453 4.368 50 0 EIAALP Cc1n[nH]c(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000952979768 1049686241 /nfs/dbraw/zinc/68/62/41/1049686241.db2.gz FRQWORBTIWDBJG-SFHVURJKSA-N 2 2 346.906 4.160 50 0 EIAALP Cc1n[nH]c(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000952979768 1049686251 /nfs/dbraw/zinc/68/62/51/1049686251.db2.gz FRQWORBTIWDBJG-SFHVURJKSA-N 2 2 346.906 4.160 50 0 EIAALP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000527681158 1053471331 /nfs/dbraw/zinc/47/13/31/1053471331.db2.gz HQZRDEYTFNYSPM-OAHLLOKOSA-N 2 2 339.474 4.268 50 0 EIAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072149771 216038040 /nfs/dbraw/zinc/03/80/40/216038040.db2.gz CHPLHPLBHHJHHV-OAHLLOKOSA-N 2 2 342.874 4.238 50 0 EIAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072149771 216038043 /nfs/dbraw/zinc/03/80/43/216038043.db2.gz CHPLHPLBHHJHHV-OAHLLOKOSA-N 2 2 342.874 4.238 50 0 EIAALP CC[N@@H+](Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305007 216143840 /nfs/dbraw/zinc/14/38/40/216143840.db2.gz RDNTXFGNAJFQJN-UHFFFAOYSA-N 2 2 343.902 4.474 50 0 EIAALP CC[N@H+](Cc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305007 216143844 /nfs/dbraw/zinc/14/38/44/216143844.db2.gz RDNTXFGNAJFQJN-UHFFFAOYSA-N 2 2 343.902 4.474 50 0 EIAALP CCn1cc[nH+]c1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000091536985 218018799 /nfs/dbraw/zinc/01/87/99/218018799.db2.gz WHYGMPQWLNWDAC-UHFFFAOYSA-N 2 2 337.389 4.301 50 0 EIAALP Fc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095366437 218299517 /nfs/dbraw/zinc/29/95/17/218299517.db2.gz MJEGEYCIPOSDFE-GOSISDBHSA-N 2 2 327.447 4.202 50 0 EIAALP Fc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095366437 218299519 /nfs/dbraw/zinc/29/95/19/218299519.db2.gz MJEGEYCIPOSDFE-GOSISDBHSA-N 2 2 327.447 4.202 50 0 EIAALP c1cn(Cc2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)c[nH+]1 ZINC000095420155 218361003 /nfs/dbraw/zinc/36/10/03/218361003.db2.gz ADZVKHKUAOJZKV-LJQANCHMSA-N 2 2 335.476 4.258 50 0 EIAALP c1ccc(N2CCC([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)CC2)[nH+]c1 ZINC000095420313 218361092 /nfs/dbraw/zinc/36/10/92/218361092.db2.gz GJSNSKXDTNLZLY-IBGZPJMESA-N 2 2 349.478 4.087 50 0 EIAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000077470010 563969836 /nfs/dbraw/zinc/96/98/36/563969836.db2.gz PMTCUPGOLKYAGF-MRXNPFEDSA-N 2 2 335.854 4.200 50 0 EIAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000077470010 563969837 /nfs/dbraw/zinc/96/98/37/563969837.db2.gz PMTCUPGOLKYAGF-MRXNPFEDSA-N 2 2 335.854 4.200 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cn1 ZINC000048782434 564032176 /nfs/dbraw/zinc/03/21/76/564032176.db2.gz IEYKSWGFLGYPJV-UHFFFAOYSA-N 2 2 347.249 4.172 50 0 EIAALP COc1cccc(CCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000096008654 564144634 /nfs/dbraw/zinc/14/46/34/564144634.db2.gz DDLVYXCZJWQPHS-UHFFFAOYSA-N 2 2 341.499 4.017 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cn1 ZINC000054176213 214221475 /nfs/dbraw/zinc/22/14/75/214221475.db2.gz UJQVPRKKYIDZIJ-UHFFFAOYSA-N 2 2 347.249 4.172 50 0 EIAALP C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216382307 241185905 /nfs/dbraw/zinc/18/59/05/241185905.db2.gz GFWYFHQUZADSDD-FQEVSTJZSA-N 2 2 340.467 4.099 50 0 EIAALP C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000216382307 241185910 /nfs/dbraw/zinc/18/59/10/241185910.db2.gz GFWYFHQUZADSDD-FQEVSTJZSA-N 2 2 340.467 4.099 50 0 EIAALP C[NH+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216382307 241185913 /nfs/dbraw/zinc/18/59/13/241185913.db2.gz GFWYFHQUZADSDD-FQEVSTJZSA-N 2 2 340.467 4.099 50 0 EIAALP Clc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020358202 212122123 /nfs/dbraw/zinc/12/21/23/212122123.db2.gz MQPKSHNJHJHMPA-LEWJYISDSA-N 2 2 340.898 4.308 50 0 EIAALP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)s1 ZINC000095420601 218362194 /nfs/dbraw/zinc/36/21/94/218362194.db2.gz WXPQCUQOTUIGKA-CYBMUJFWSA-N 2 2 326.469 4.105 50 0 EIAALP c1c(-c2ccccc2)n(CC[NH+]2CCCCC2)c2[nH+]c3ccccc3n12 ZINC000000349628 563289080 /nfs/dbraw/zinc/28/90/80/563289080.db2.gz OCOYXPRIWSLHAL-UHFFFAOYSA-N 2 2 344.462 4.442 50 0 biogenic EIAALP COc1ccc2ccccc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000023280476 563918245 /nfs/dbraw/zinc/91/82/45/563918245.db2.gz VWOCOQGCZRFPTE-UHFFFAOYSA-N 2 2 338.495 4.299 50 0 EIAALP CC(C)Oc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000013685499 563931811 /nfs/dbraw/zinc/93/18/11/563931811.db2.gz TWODAZQSOLGALR-JOCHJYFZSA-N 2 2 338.495 4.247 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc3ccccc3o2)cc1 ZINC000097081920 563967279 /nfs/dbraw/zinc/96/72/79/563967279.db2.gz UKBNGOMVJXDTCU-AWEZNQCLSA-N 2 2 332.407 4.173 50 0 EIAALP Fc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc(F)c1F ZINC000082107850 563972349 /nfs/dbraw/zinc/97/23/49/563972349.db2.gz UJDIEOYWGLNBTH-HNNXBMFYSA-N 2 2 349.400 4.090 50 0 EIAALP Fc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc(F)c1F ZINC000082107850 563972350 /nfs/dbraw/zinc/97/23/50/563972350.db2.gz UJDIEOYWGLNBTH-HNNXBMFYSA-N 2 2 349.400 4.090 50 0 EIAALP Fc1ccc([C@H]2CC[N@@H+]2Cc2ccc(C[NH+]3CCCC3)s2)cc1 ZINC000097814957 563981962 /nfs/dbraw/zinc/98/19/62/563981962.db2.gz FKGQVMVHTWRZLK-LJQANCHMSA-N 2 2 330.472 4.430 50 0 EIAALP Fc1ccc([C@H]2CC[N@H+]2Cc2ccc(C[NH+]3CCCC3)s2)cc1 ZINC000097814957 563981963 /nfs/dbraw/zinc/98/19/63/563981963.db2.gz FKGQVMVHTWRZLK-LJQANCHMSA-N 2 2 330.472 4.430 50 0 EIAALP CC(C)Oc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000013685492 564020586 /nfs/dbraw/zinc/02/05/86/564020586.db2.gz TWODAZQSOLGALR-QFIPXVFZSA-N 2 2 338.495 4.247 50 0 EIAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685495 564053164 /nfs/dbraw/zinc/05/31/64/564053164.db2.gz FUSJRYUTNLUVHU-OAQYLSRUSA-N 2 2 347.506 4.264 50 0 EIAALP Fc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000096013541 564144790 /nfs/dbraw/zinc/14/47/90/564144790.db2.gz IRSTYNNTMFFZIQ-RTWAWAEBSA-N 2 2 335.426 4.431 50 0 EIAALP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575547126 1045256301 /nfs/dbraw/zinc/25/63/01/1045256301.db2.gz XEDABUCXWDJVDY-KRWDZBQOSA-N 2 2 331.410 4.184 50 0 EIAALP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575547126 1045256314 /nfs/dbraw/zinc/25/63/14/1045256314.db2.gz XEDABUCXWDJVDY-KRWDZBQOSA-N 2 2 331.410 4.184 50 0 EIAALP CCn1c2ccccc2c2cc(C[NH2+]CCCn3cc[nH+]c3)ccc21 ZINC000035268956 213016926 /nfs/dbraw/zinc/01/69/26/213016926.db2.gz NDKZDNJKHAOIRA-UHFFFAOYSA-N 2 2 332.451 4.191 50 0 EIAALP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000089562803 564092859 /nfs/dbraw/zinc/09/28/59/564092859.db2.gz HKHCHUJBOAYZNF-CQSZACIVSA-N 2 2 326.469 4.056 50 0 EIAALP COCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000095422709 564140089 /nfs/dbraw/zinc/14/00/89/564140089.db2.gz CMUMKEJVHOUKNZ-HNNXBMFYSA-N 2 2 339.414 4.009 50 0 EIAALP c1sc2ccccc2c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710800 564171759 /nfs/dbraw/zinc/17/17/59/564171759.db2.gz LMTWGAKCDREOPC-UHFFFAOYSA-N 2 2 337.492 4.051 50 0 EIAALP C[NH+](C)Cc1cnc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000347578000 1035599109 /nfs/dbraw/zinc/59/91/09/1035599109.db2.gz CLVPJXLCRHUTRG-IBGZPJMESA-N 2 2 341.524 4.247 50 0 EIAALP C[NH+](C)Cc1cnc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000347578000 1035599130 /nfs/dbraw/zinc/59/91/30/1035599130.db2.gz CLVPJXLCRHUTRG-IBGZPJMESA-N 2 2 341.524 4.247 50 0 EIAALP Cc1c[nH+]c(-c2cccnc2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000581808696 1060020556 /nfs/dbraw/zinc/02/05/56/1060020556.db2.gz XRUFLKWSLGTJTD-UHFFFAOYSA-N 2 2 346.478 4.166 50 0 EIAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000092028856 218105635 /nfs/dbraw/zinc/10/56/35/218105635.db2.gz APMXPLKCPDXCBP-UHFFFAOYSA-N 2 2 337.389 4.261 50 0 EIAALP CCc1nc(C)sc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095387249 218319247 /nfs/dbraw/zinc/31/92/47/218319247.db2.gz NTEYONVMOZBHPP-OAHLLOKOSA-N 2 2 332.517 4.171 50 0 EIAALP CCc1nc(C)sc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095387249 218319249 /nfs/dbraw/zinc/31/92/49/218319249.db2.gz NTEYONVMOZBHPP-OAHLLOKOSA-N 2 2 332.517 4.171 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)cn1 ZINC000095420605 218362441 /nfs/dbraw/zinc/36/24/41/218362441.db2.gz YZNYARXSLRGDRB-OAHLLOKOSA-N 2 2 346.434 4.481 50 0 EIAALP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000095421526 218363365 /nfs/dbraw/zinc/36/33/65/218363365.db2.gz JHBLWEWLTJIETO-QGZVFWFLSA-N 2 2 349.478 4.186 50 0 EIAALP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000126496596 563963345 /nfs/dbraw/zinc/96/33/45/563963345.db2.gz YULWCCRXVZOZAI-CYBMUJFWSA-N 2 2 326.469 4.050 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000090458963 564084469 /nfs/dbraw/zinc/08/44/69/564084469.db2.gz LLKPSAGNYNQGNE-CYBMUJFWSA-N 2 2 338.480 4.365 50 0 EIAALP Cc1cc([NH2+][C@@H](C)CCCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000095945474 564142196 /nfs/dbraw/zinc/14/21/96/564142196.db2.gz OIXJJQWLENGPLZ-AWEZNQCLSA-N 2 2 332.410 4.468 50 0 EIAALP COc1cccc([C@H](C[NH2+]Cc2ccc(C)cc2C)[NH+]2CCCC2)c1 ZINC000071798765 564175452 /nfs/dbraw/zinc/17/54/52/564175452.db2.gz SPLKWEFZXMFIIZ-QFIPXVFZSA-N 2 2 338.495 4.239 50 0 EIAALP COc1cccc([C@@H](C[NH2+]Cc2ccc(C)cc2C)[NH+]2CCCC2)c1 ZINC000071798766 564175475 /nfs/dbraw/zinc/17/54/75/564175475.db2.gz SPLKWEFZXMFIIZ-JOCHJYFZSA-N 2 2 338.495 4.239 50 0 EIAALP c1cc(OC[C@@H]2CCC3(CC[NH+](CC4CCCCC4)CC3)O2)cc[nH+]1 ZINC000257173956 1022562771 /nfs/dbraw/zinc/56/27/71/1022562771.db2.gz ATEHEMAPKSSFJB-FQEVSTJZSA-N 2 2 344.499 4.054 50 0 EIAALP c1cn(Cc2ccc(Oc3ccccc3C[NH+]3CCCCC3)nc2)c[nH+]1 ZINC000067871362 215236499 /nfs/dbraw/zinc/23/64/99/215236499.db2.gz IXXASGYZZDESEV-UHFFFAOYSA-N 2 2 348.450 4.105 50 0 EIAALP C[NH+](C)Cc1ccccc1Cn1cc[nH+]c1-c1ccc(O)c(Cl)c1 ZINC000072411312 216204315 /nfs/dbraw/zinc/20/43/15/216204315.db2.gz LGPGNIRFSLZKIV-UHFFFAOYSA-N 2 2 341.842 4.019 50 0 EIAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111649 241167742 /nfs/dbraw/zinc/16/77/42/241167742.db2.gz KLLQXYDMVSOXJS-HNNXBMFYSA-N 2 2 340.858 4.001 50 0 EIAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111649 241167750 /nfs/dbraw/zinc/16/77/50/241167750.db2.gz KLLQXYDMVSOXJS-HNNXBMFYSA-N 2 2 340.858 4.001 50 0 EIAALP Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000019839800 212074658 /nfs/dbraw/zinc/07/46/58/212074658.db2.gz PGHTWOSVSZCABJ-UHFFFAOYSA-N 2 2 346.434 4.132 50 0 EIAALP Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000019839800 212074660 /nfs/dbraw/zinc/07/46/60/212074660.db2.gz PGHTWOSVSZCABJ-UHFFFAOYSA-N 2 2 346.434 4.132 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000090547185 217937079 /nfs/dbraw/zinc/93/70/79/217937079.db2.gz KZIWOMTWDCZWHD-MRXNPFEDSA-N 2 2 349.482 4.343 50 0 EIAALP c1cn(Cc2cscn2)c(C2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC000092022720 218105727 /nfs/dbraw/zinc/10/57/27/218105727.db2.gz BUVIUQVHPSPLCR-UHFFFAOYSA-N 2 2 344.528 4.148 50 0 EIAALP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000095420610 218362297 /nfs/dbraw/zinc/36/22/97/218362297.db2.gz JWGXPNYWUHXCDJ-SFHVURJKSA-N 2 2 338.842 4.006 50 0 EIAALP CC[NH+](CC)CCn1c(-c2ccccc2)cn2c3ccccc3[nH+]c21 ZINC000004793246 210278990 /nfs/dbraw/zinc/27/89/90/210278990.db2.gz FYCHAUWGZCSFGR-UHFFFAOYSA-N 2 2 332.451 4.298 50 0 EIAALP CCOc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745730 210268969 /nfs/dbraw/zinc/26/89/69/210268969.db2.gz KGURGDPFABWGJD-ROUUACIJSA-N 2 2 330.516 4.028 50 0 EIAALP CC(C)(C)[NH2+]CCn1c(-c2ccccc2)cn2c3ccccc3[nH+]c21 ZINC000000302062 563276100 /nfs/dbraw/zinc/27/61/00/563276100.db2.gz JFDMMYNNKRNPHT-UHFFFAOYSA-N 2 2 332.451 4.344 50 0 EIAALP Clc1cncc(Cl)c1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077555976 563970310 /nfs/dbraw/zinc/97/03/10/563970310.db2.gz HJAPRLGNWDPINW-CYBMUJFWSA-N 2 2 339.270 4.030 50 0 EIAALP Clc1cncc(Cl)c1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077555976 563970311 /nfs/dbraw/zinc/97/03/11/563970311.db2.gz HJAPRLGNWDPINW-CYBMUJFWSA-N 2 2 339.270 4.030 50 0 EIAALP C[NH+]1CCN(c2ccc3[nH]c(-c4cccc5ccccc54)[nH+]c3c2)CC1 ZINC000001390248 564064498 /nfs/dbraw/zinc/06/44/98/564064498.db2.gz PIYGOKKHMVMDNS-UHFFFAOYSA-N 2 2 342.446 4.135 50 0 EIAALP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(Cl)c1 ZINC000152466893 564112192 /nfs/dbraw/zinc/11/21/92/564112192.db2.gz FKRRQIJGAKBZKD-OAHLLOKOSA-N 2 2 329.875 4.050 50 0 EIAALP CC(C)c1noc([C@@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000069659874 564171283 /nfs/dbraw/zinc/17/12/83/564171283.db2.gz PAPZDTQULAEQII-CYBMUJFWSA-N 2 2 339.443 4.010 50 0 EIAALP C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000952871748 1049678709 /nfs/dbraw/zinc/67/87/09/1049678709.db2.gz DDJPBZHCQBIOQC-INIZCTEOSA-N 2 2 329.513 4.112 50 0 EIAALP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095420158 218360733 /nfs/dbraw/zinc/36/07/33/218360733.db2.gz XDCXRUDSFLQJRN-KRWDZBQOSA-N 2 2 335.451 4.099 50 0 EIAALP Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097546546 219034404 /nfs/dbraw/zinc/03/44/04/219034404.db2.gz ZAFYEYIPVKNUHD-FQEVSTJZSA-N 2 2 347.466 4.006 50 0 EIAALP Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097546546 219034406 /nfs/dbraw/zinc/03/44/06/219034406.db2.gz ZAFYEYIPVKNUHD-FQEVSTJZSA-N 2 2 347.466 4.006 50 0 EIAALP c1csc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000000305242 563277419 /nfs/dbraw/zinc/27/74/19/563277419.db2.gz JGHFPOBBWUMJAW-UHFFFAOYSA-N 2 2 340.496 4.196 50 0 EIAALP Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)c(C)[nH+]1 ZINC000065406505 563960201 /nfs/dbraw/zinc/96/02/01/563960201.db2.gz ARYQMEASKUQLJF-INIZCTEOSA-N 2 2 337.467 4.243 50 0 EIAALP Cc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)c(C)[nH+]1 ZINC000065406505 563960202 /nfs/dbraw/zinc/96/02/02/563960202.db2.gz ARYQMEASKUQLJF-INIZCTEOSA-N 2 2 337.467 4.243 50 0 EIAALP COc1ccc(C2=CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000061107027 563993139 /nfs/dbraw/zinc/99/31/39/563993139.db2.gz NEGPHEKXVLHCSX-UHFFFAOYSA-N 2 2 345.446 4.170 50 0 EIAALP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000108457624 564028281 /nfs/dbraw/zinc/02/82/81/564028281.db2.gz WHGOYLYBXBVTMZ-GGPKGHCWSA-N 2 2 330.516 4.055 50 0 EIAALP Cc1nc([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC000067803429 215215081 /nfs/dbraw/zinc/21/50/81/215215081.db2.gz IYXIPVVZTIYXLY-CYBMUJFWSA-N 2 2 326.469 4.139 50 0 EIAALP Cc1nc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)s1 ZINC000067803429 215215083 /nfs/dbraw/zinc/21/50/83/215215083.db2.gz IYXIPVVZTIYXLY-CYBMUJFWSA-N 2 2 326.469 4.139 50 0 EIAALP COc1ccc2c(c1)[nH+]c(NCCC[NH+](C)C)cc2-c1ccccc1 ZINC000001896218 209803903 /nfs/dbraw/zinc/80/39/03/209803903.db2.gz RTTWXVNKZRKRIA-UHFFFAOYSA-N 2 2 335.451 4.274 50 0 EIAALP COc1cccc([C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)[NH+]2CCCC2)c1 ZINC000240412852 242970975 /nfs/dbraw/zinc/97/09/75/242970975.db2.gz FOIMWMIQNOVCHL-JOCHJYFZSA-N 2 2 349.478 4.103 50 0 EIAALP Fc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095366436 218298633 /nfs/dbraw/zinc/29/86/33/218298633.db2.gz MJEGEYCIPOSDFE-SFHVURJKSA-N 2 2 327.447 4.202 50 0 EIAALP Fc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095366436 218298636 /nfs/dbraw/zinc/29/86/36/218298636.db2.gz MJEGEYCIPOSDFE-SFHVURJKSA-N 2 2 327.447 4.202 50 0 EIAALP Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3C)cc2)c(C)[nH+]1 ZINC000065406506 563960232 /nfs/dbraw/zinc/96/02/32/563960232.db2.gz ARYQMEASKUQLJF-MRXNPFEDSA-N 2 2 337.467 4.243 50 0 EIAALP Cc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)c(C)[nH+]1 ZINC000065406506 563960233 /nfs/dbraw/zinc/96/02/33/563960233.db2.gz ARYQMEASKUQLJF-MRXNPFEDSA-N 2 2 337.467 4.243 50 0 EIAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000090458965 564084465 /nfs/dbraw/zinc/08/44/65/564084465.db2.gz LLKPSAGNYNQGNE-ZDUSSCGKSA-N 2 2 338.480 4.365 50 0 EIAALP