smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000090223704 185287368 /nfs/dbraw/zinc/28/73/68/185287368.db2.gz CCQIADGGDVGTAU-BBRMVZONSA-N 1 2 322.412 4.032 10 0 DIAELO CC(C)(C)c1csc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000092807521 185342297 /nfs/dbraw/zinc/34/22/97/185342297.db2.gz IHURMIVEWRFHMP-ZDUSSCGKSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1csc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000092807521 185342298 /nfs/dbraw/zinc/34/22/98/185342298.db2.gz IHURMIVEWRFHMP-ZDUSSCGKSA-N 1 2 322.499 4.076 10 0 DIAELO c1ccc(C2N[C@@H](c3ccccc3)[C@H](c3ccccc3)[NH2+]2)cc1 ZINC000019321003 182115009 /nfs/dbraw/zinc/11/50/09/182115009.db2.gz VJWNWMOGJOGCRF-PMACEKPBSA-N 1 2 300.405 4.361 10 0 DIAELO Fc1cccc(Cl)c1C[NH2+]Cc1nc2ccccc2s1 ZINC000019983008 182173266 /nfs/dbraw/zinc/17/32/66/182173266.db2.gz DWRUMCBIPTVYHF-UHFFFAOYSA-N 1 2 306.793 4.379 10 0 DIAELO Cc1ccc(C)c(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000040295952 183052751 /nfs/dbraw/zinc/05/27/51/183052751.db2.gz MHLUDWRFICTUKB-UHFFFAOYSA-N 1 2 319.408 4.169 10 0 DIAELO Cc1cc(C)c(Cn2c3cc(C)c(C)cc3[nH+]c2CCO)c(C)c1 ZINC000040310705 183053293 /nfs/dbraw/zinc/05/32/93/183053293.db2.gz SOMGSZWMFQQVPG-UHFFFAOYSA-N 1 2 322.452 4.162 10 0 DIAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(NCCC(C)C)c1N ZINC000040701635 183119875 /nfs/dbraw/zinc/11/98/75/183119875.db2.gz ZMRWRVAMASYHSV-UHFFFAOYSA-N 1 2 319.840 4.222 10 0 DIAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(NCCC(C)C)c1N ZINC000040701635 183119878 /nfs/dbraw/zinc/11/98/78/183119878.db2.gz ZMRWRVAMASYHSV-UHFFFAOYSA-N 1 2 319.840 4.222 10 0 DIAELO Nc1c(Nc2cccc(Cl)c2)nc[nH+]c1NC1CCCCC1 ZINC000040708579 183120725 /nfs/dbraw/zinc/12/07/25/183120725.db2.gz IUSVWJPCKPBBDR-UHFFFAOYSA-N 1 2 317.824 4.200 10 0 DIAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1cccc(Cl)c1 ZINC000040708579 183120727 /nfs/dbraw/zinc/12/07/27/183120727.db2.gz IUSVWJPCKPBBDR-UHFFFAOYSA-N 1 2 317.824 4.200 10 0 DIAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCCCC3)c2N)cc1 ZINC000040782101 183133254 /nfs/dbraw/zinc/13/32/54/183133254.db2.gz QTZPSHVKCGNOBR-UHFFFAOYSA-N 1 2 311.433 4.246 10 0 DIAELO Cc1c(Cl)ccc2c(Nc3ccc(C(N)=O)cc3)cc[nH+]c12 ZINC000041055513 183160097 /nfs/dbraw/zinc/16/00/97/183160097.db2.gz VBIJGBKZPCKEQD-UHFFFAOYSA-N 1 2 311.772 4.039 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2cscc2Br)o1 ZINC000285534414 131178469 /nfs/dbraw/zinc/17/84/69/131178469.db2.gz SOBQIKKRJYXUAR-SECBINFHSA-N 1 2 300.221 4.263 10 0 DIAELO Cc1nc2ccccc2nc1CSCc1[nH+]ccn1C(C)C ZINC000175274083 332884661 /nfs/dbraw/zinc/88/46/61/332884661.db2.gz MZFRCOOTHKNLMJ-UHFFFAOYSA-N 1 2 312.442 4.149 10 0 DIAELO CC(C)n1cc[nH+]c1CSCCOc1ccccc1Cl ZINC000175272455 332884686 /nfs/dbraw/zinc/88/46/86/332884686.db2.gz FHARCVCJEIFANV-UHFFFAOYSA-N 1 2 310.850 4.430 10 0 DIAELO c1coc([C@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000192791187 336261919 /nfs/dbraw/zinc/26/19/19/336261919.db2.gz NYRNLAYCWMXZNC-FXAWDEMLSA-N 1 2 305.377 4.482 10 0 DIAELO c1coc([C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000192791156 336261927 /nfs/dbraw/zinc/26/19/27/336261927.db2.gz NYRNLAYCWMXZNC-YLJYHZDGSA-N 1 2 305.377 4.482 10 0 DIAELO CC(C)(C)c1nc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000301526808 336312501 /nfs/dbraw/zinc/31/25/01/336312501.db2.gz NRBIFLMCJMKREM-GHMZBOCLSA-N 1 2 301.356 4.307 10 0 DIAELO Cn1c(CNc2cc[nH+]c(C(C)(C)C)n2)cc(Cl)c1Cl ZINC000301646094 336320475 /nfs/dbraw/zinc/32/04/75/336320475.db2.gz NWVREXCEMASGPY-UHFFFAOYSA-N 1 2 313.232 4.032 10 0 DIAELO COc1cccc2c(N[C@H](C)c3cccc(O)c3)c(C)c[nH+]c12 ZINC000302677091 336364549 /nfs/dbraw/zinc/36/45/49/336364549.db2.gz UZDFJCIQDSOPRM-CYBMUJFWSA-N 1 2 308.381 4.431 10 0 DIAELO CCn1ccnc1C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000170988115 337085712 /nfs/dbraw/zinc/08/57/12/337085712.db2.gz YDGJAGNNUIUGTK-SFHVURJKSA-N 1 2 308.429 4.112 10 0 DIAELO CCn1ccnc1C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000170988115 337085713 /nfs/dbraw/zinc/08/57/13/337085713.db2.gz YDGJAGNNUIUGTK-SFHVURJKSA-N 1 2 308.429 4.112 10 0 DIAELO CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC3)no1 ZINC000172288791 337091590 /nfs/dbraw/zinc/09/15/90/337091590.db2.gz BXVXXZRFRKTULC-QGZVFWFLSA-N 1 2 311.429 4.019 10 0 DIAELO CC(C)c1nc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CCC3)no1 ZINC000172288791 337091591 /nfs/dbraw/zinc/09/15/91/337091591.db2.gz BXVXXZRFRKTULC-QGZVFWFLSA-N 1 2 311.429 4.019 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccccn1 ZINC000181807012 337184843 /nfs/dbraw/zinc/18/48/43/337184843.db2.gz IEBHLDCIZSOESM-LBPRGKRZSA-N 1 2 313.788 4.241 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 ZINC000182175672 337187094 /nfs/dbraw/zinc/18/70/94/337187094.db2.gz HQWLQAQCZGBCAJ-GFCCVEGCSA-N 1 2 313.788 4.241 10 0 DIAELO CC[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1cccs1 ZINC000184055953 337196927 /nfs/dbraw/zinc/19/69/27/337196927.db2.gz HDIKKPXQPZGAMK-LLVKDONJSA-N 1 2 305.428 4.101 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000185823757 337250497 /nfs/dbraw/zinc/25/04/97/337250497.db2.gz WEDVWAZEMBSYOC-AWEZNQCLSA-N 1 2 307.372 4.134 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1 ZINC000185824337 337250550 /nfs/dbraw/zinc/25/05/50/337250550.db2.gz NYWURUJXKAXZSV-AWEZNQCLSA-N 1 2 307.372 4.134 10 0 DIAELO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000188951265 337276851 /nfs/dbraw/zinc/27/68/51/337276851.db2.gz GTGJVSHWHFXSJK-HNNXBMFYSA-N 1 2 316.470 4.362 10 0 DIAELO O[C@H]1CC[C@@H](C(F)(F)C[C@@H]2c3ccccc3-c3c[nH+]cn32)CC1 ZINC000584601223 337370867 /nfs/dbraw/zinc/37/08/67/337370867.db2.gz BNIKSRNVKFKULS-DVOMOZLQSA-N 1 2 318.367 4.029 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000246201693 337520469 /nfs/dbraw/zinc/52/04/69/337520469.db2.gz JETZUNIRNMACSU-IWLLQYOYSA-N 1 2 310.507 4.175 10 0 DIAELO Cc1ccccc1NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174149904 340383087 /nfs/dbraw/zinc/38/30/87/340383087.db2.gz LMHMGIUMFYTWRS-OAHLLOKOSA-N 1 2 320.396 4.063 10 0 DIAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cnccn1 ZINC000125878587 340813451 /nfs/dbraw/zinc/81/34/51/340813451.db2.gz GQMGIGYVPHLFIK-BDAKNGLRSA-N 1 2 314.191 4.334 10 0 DIAELO COc1ccc(Cl)c(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000129605770 340975404 /nfs/dbraw/zinc/97/54/04/340975404.db2.gz MUZAUDDFVSVQDY-MRXNPFEDSA-N 1 2 313.788 4.273 10 0 DIAELO CC(C)n1cc[nH+]c1CSCc1nc(C(F)(F)F)cs1 ZINC000155657971 520035329 /nfs/dbraw/zinc/03/53/29/520035329.db2.gz FXYHOANJSRWNFP-UHFFFAOYSA-N 1 2 321.393 4.373 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)c1cccc(Cl)c1 ZINC000133729696 520033113 /nfs/dbraw/zinc/03/31/13/520033113.db2.gz IRSMUHJGWDLCEM-FKIZINRSSA-N 1 2 310.850 4.127 10 0 DIAELO CCCn1nc(C)c(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1C ZINC000127626406 521668054 /nfs/dbraw/zinc/66/80/54/521668054.db2.gz VUWDEWJQVCBGBZ-MRXNPFEDSA-N 1 2 318.490 4.094 10 0 DIAELO CCCn1nc(C)c(C[N@H+]2CCCC[C@@H]2c2nccs2)c1C ZINC000127626406 521668059 /nfs/dbraw/zinc/66/80/59/521668059.db2.gz VUWDEWJQVCBGBZ-MRXNPFEDSA-N 1 2 318.490 4.094 10 0 DIAELO CCS[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000181534624 521721961 /nfs/dbraw/zinc/72/19/61/521721961.db2.gz SQIAVKBVQWDPFQ-STQMWFEESA-N 1 2 305.447 4.043 10 0 DIAELO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc2ccccc2c1 ZINC000181506485 525485391 /nfs/dbraw/zinc/48/53/91/525485391.db2.gz ZSYRAMHODJBYLS-ZDUSSCGKSA-N 1 2 309.413 4.371 10 0 DIAELO O=C(CC[N@@H+]1CCCC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000182180980 526483828 /nfs/dbraw/zinc/48/38/28/526483828.db2.gz WTBQXANTPCATBO-HNNXBMFYSA-N 1 2 318.417 4.082 10 0 DIAELO O=C(CC[N@H+]1CCCC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000182180980 526483831 /nfs/dbraw/zinc/48/38/31/526483831.db2.gz WTBQXANTPCATBO-HNNXBMFYSA-N 1 2 318.417 4.082 10 0 DIAELO Clc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000048409086 563574734 /nfs/dbraw/zinc/57/47/34/563574734.db2.gz KZXQLJIZZPJFLW-UHFFFAOYSA-N 1 2 306.196 4.160 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)c2ccccc2)[nH]1 ZINC000162584943 1042129013 /nfs/dbraw/zinc/12/90/13/1042129013.db2.gz BIRDIWJWSLKHSM-BEFAXECRSA-N 1 2 320.440 4.170 10 0 DIAELO Cc1csc(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)n1 ZINC000162916530 1042300683 /nfs/dbraw/zinc/30/06/83/1042300683.db2.gz OBTGSIPAEXINNZ-UHFFFAOYSA-N 1 2 319.499 4.165 10 0 DIAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000090226368 185287616 /nfs/dbraw/zinc/28/76/16/185287616.db2.gz PHYYBVBINGPNAV-XJKSGUPXSA-N 1 2 324.428 4.135 10 0 DIAELO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)s1 ZINC000092831717 185344762 /nfs/dbraw/zinc/34/47/62/185344762.db2.gz YLGOQWKMMHSDGI-CYBMUJFWSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)s1 ZINC000092831717 185344763 /nfs/dbraw/zinc/34/47/63/185344763.db2.gz YLGOQWKMMHSDGI-CYBMUJFWSA-N 1 2 322.499 4.076 10 0 DIAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)c(C)c1 ZINC000005238430 181220476 /nfs/dbraw/zinc/22/04/76/181220476.db2.gz YGOXHDJNRJIMNC-UHFFFAOYSA-N 1 2 321.424 4.415 10 0 DIAELO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1nc(C2CC2)no1 ZINC000089671093 192840580 /nfs/dbraw/zinc/84/05/80/192840580.db2.gz FGBPSHXCYDRFFU-XHDPSFHLSA-N 1 2 303.381 4.134 10 0 DIAELO COc1c(C)c[nH+]c(CNc2cccc(Br)c2)c1C ZINC000020051885 182184008 /nfs/dbraw/zinc/18/40/08/182184008.db2.gz TWKVRDRCGIWZPL-UHFFFAOYSA-N 1 2 321.218 4.082 10 0 DIAELO CCc1[nH+]c2ccccc2n1Cc1cccc(Br)c1 ZINC000040227333 183047865 /nfs/dbraw/zinc/04/78/65/183047865.db2.gz TVFXJRAAKQNOSR-UHFFFAOYSA-N 1 2 315.214 4.410 10 0 DIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1c(C)cccc1C ZINC000040295574 183052719 /nfs/dbraw/zinc/05/27/19/183052719.db2.gz WYEUQGPBTTWADV-UHFFFAOYSA-N 1 2 321.424 4.217 10 0 DIAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)cc1C ZINC000040295672 183052836 /nfs/dbraw/zinc/05/28/36/183052836.db2.gz JAALGSDHCAPNAW-UHFFFAOYSA-N 1 2 321.424 4.415 10 0 DIAELO Nc1c(Nc2cccc3ccccc32)nc[nH+]c1NC1CCCC1 ZINC000040759038 183130154 /nfs/dbraw/zinc/13/01/54/183130154.db2.gz WIOUBBGXWNZJHM-UHFFFAOYSA-N 1 2 319.412 4.310 10 0 DIAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1cccc2ccccc21 ZINC000040759038 183130156 /nfs/dbraw/zinc/13/01/56/183130156.db2.gz WIOUBBGXWNZJHM-UHFFFAOYSA-N 1 2 319.412 4.310 10 0 DIAELO c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1COc2ccccc21 ZINC000180882613 332144571 /nfs/dbraw/zinc/14/45/71/332144571.db2.gz IHQMPVNCQUCQPO-KRWDZBQOSA-N 1 2 307.349 4.295 10 0 DIAELO Cc1nn(C)cc1C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000157698022 332592172 /nfs/dbraw/zinc/59/21/72/332592172.db2.gz NRXASMUETKLUAZ-SECBINFHSA-N 1 2 316.207 4.025 10 0 DIAELO Cc1cc(N[C@@H](C)Cc2cccc(F)c2)nc(-c2cccnc2)[nH+]1 ZINC000301268249 336297692 /nfs/dbraw/zinc/29/76/92/336297692.db2.gz GCQNCAVRDMZUOK-ZDUSSCGKSA-N 1 2 322.387 4.029 10 0 DIAELO c1ccc(-c2nnc(CNc3ccc4ccccc4[nH+]3)s2)cc1 ZINC000301669494 336322292 /nfs/dbraw/zinc/32/22/92/336322292.db2.gz YGDOKLPUOVAQQF-UHFFFAOYSA-N 1 2 318.405 4.365 10 0 DIAELO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(F)c(Cl)c1 ZINC000302877060 336372880 /nfs/dbraw/zinc/37/28/80/336372880.db2.gz FVHIFBYNRAAHIA-LLVKDONJSA-N 1 2 320.799 4.042 10 0 DIAELO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(F)c(Cl)c1 ZINC000302877060 336372881 /nfs/dbraw/zinc/37/28/81/336372881.db2.gz FVHIFBYNRAAHIA-LLVKDONJSA-N 1 2 320.799 4.042 10 0 DIAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC3)no1 ZINC000172288788 337091676 /nfs/dbraw/zinc/09/16/76/337091676.db2.gz BXVXXZRFRKTULC-KRWDZBQOSA-N 1 2 311.429 4.019 10 0 DIAELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CCC3)no1 ZINC000172288788 337091677 /nfs/dbraw/zinc/09/16/77/337091677.db2.gz BXVXXZRFRKTULC-KRWDZBQOSA-N 1 2 311.429 4.019 10 0 DIAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2nccn2C(C)C)o1 ZINC000172870937 337131676 /nfs/dbraw/zinc/13/16/76/337131676.db2.gz RBTJXDLUAXIPRJ-INIZCTEOSA-N 1 2 301.434 4.347 10 0 DIAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2nccn2C(C)C)o1 ZINC000172870937 337131677 /nfs/dbraw/zinc/13/16/77/337131677.db2.gz RBTJXDLUAXIPRJ-INIZCTEOSA-N 1 2 301.434 4.347 10 0 DIAELO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c(C)c1C ZINC000173759400 337136054 /nfs/dbraw/zinc/13/60/54/337136054.db2.gz OCNPSIPCUNEWFV-AWEZNQCLSA-N 1 2 318.442 4.042 10 0 DIAELO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c(C)c1C ZINC000173759400 337136055 /nfs/dbraw/zinc/13/60/55/337136055.db2.gz OCNPSIPCUNEWFV-AWEZNQCLSA-N 1 2 318.442 4.042 10 0 DIAELO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccncc3)o2)cc1C ZINC000181600461 337183307 /nfs/dbraw/zinc/18/33/07/337183307.db2.gz KOZLCLNJYKXIQC-HUUCEWRRSA-N 1 2 322.412 4.160 10 0 DIAELO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000181870615 337185197 /nfs/dbraw/zinc/18/51/97/337185197.db2.gz FSHFYJYFIDOXHU-XJKSGUPXSA-N 1 2 324.428 4.081 10 0 DIAELO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000183586395 337193689 /nfs/dbraw/zinc/19/36/89/337193689.db2.gz WUJHJKOBSHYOAS-JTQLQIEISA-N 1 2 316.348 4.400 10 0 DIAELO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000183586395 337193690 /nfs/dbraw/zinc/19/36/90/337193690.db2.gz WUJHJKOBSHYOAS-JTQLQIEISA-N 1 2 316.348 4.400 10 0 DIAELO ClC(Cl)(Cl)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000184493792 337199058 /nfs/dbraw/zinc/19/90/58/337199058.db2.gz XCRPBGNEUVASDR-SECBINFHSA-N 1 2 313.681 4.430 10 0 DIAELO ClC(Cl)(Cl)CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000184493792 337199059 /nfs/dbraw/zinc/19/90/59/337199059.db2.gz XCRPBGNEUVASDR-SECBINFHSA-N 1 2 313.681 4.430 10 0 DIAELO Clc1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185872552 337252186 /nfs/dbraw/zinc/25/21/86/337252186.db2.gz IBGYNVFNHIUNEZ-UHFFFAOYSA-N 1 2 309.800 4.087 10 0 DIAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000187074504 337261626 /nfs/dbraw/zinc/26/16/26/337261626.db2.gz RHWVQOSSVWNHQK-VXGBXAGGSA-N 1 2 322.861 4.073 10 0 DIAELO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000187110262 337262603 /nfs/dbraw/zinc/26/26/03/337262603.db2.gz IWFIPCGBTPLBAM-ZIAGYGMSSA-N 1 2 323.396 4.157 10 0 DIAELO CCn1cc[nH+]c1CSCc1csc(C2CCCC2)n1 ZINC000083633213 337995801 /nfs/dbraw/zinc/99/58/01/337995801.db2.gz RQTSHXPQEFZANU-UHFFFAOYSA-N 1 2 307.488 4.451 10 0 DIAELO CCCc1cccc(C[NH2+]C2(c3noc(CC)n3)CCCC2)c1 ZINC000187181220 340518241 /nfs/dbraw/zinc/51/82/41/340518241.db2.gz FPEKMVLJWOSCCT-UHFFFAOYSA-N 1 2 313.445 4.144 10 0 DIAELO COc1ccc(Cl)c(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000129605602 340975480 /nfs/dbraw/zinc/97/54/80/340975480.db2.gz MUZAUDDFVSVQDY-INIZCTEOSA-N 1 2 313.788 4.273 10 0 DIAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccncc1Cl ZINC000075711592 341181203 /nfs/dbraw/zinc/18/12/03/341181203.db2.gz WOMXYUATXKNOLN-KRWDZBQOSA-N 1 2 316.832 4.087 10 0 DIAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1ccncc1Cl ZINC000075711592 341181204 /nfs/dbraw/zinc/18/12/04/341181204.db2.gz WOMXYUATXKNOLN-KRWDZBQOSA-N 1 2 316.832 4.087 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(C)[nH+]c(-c3ccncc3)n2)cc1 ZINC000140990145 341371022 /nfs/dbraw/zinc/37/10/22/341371022.db2.gz GXTIONWWPVSJRQ-OAHLLOKOSA-N 1 2 304.397 4.329 10 0 DIAELO Cc1cc(F)ccc1C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000171129492 341772106 /nfs/dbraw/zinc/77/21/06/341772106.db2.gz VBDIEMWHUZAOMP-UHFFFAOYSA-N 1 2 317.408 4.200 10 0 DIAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nc(C(C)C)no2)cc1 ZINC000181394356 519763729 /nfs/dbraw/zinc/76/37/29/519763729.db2.gz OXXOOWYGECTBJH-AWEZNQCLSA-N 1 2 317.433 4.079 10 0 DIAELO CCCCc1noc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180719387 521336790 /nfs/dbraw/zinc/33/67/90/521336790.db2.gz KBMPMGFABVKGBG-SNVBAGLBSA-N 1 2 311.788 4.056 10 0 DIAELO c1csc([C@@H]2CCCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000124289995 526586037 /nfs/dbraw/zinc/58/60/37/526586037.db2.gz XHUDYQVWHFHDNQ-KRWDZBQOSA-N 1 2 309.438 4.419 10 0 DIAELO c1csc([C@@H]2CCCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000124289995 526586045 /nfs/dbraw/zinc/58/60/45/526586045.db2.gz XHUDYQVWHFHDNQ-KRWDZBQOSA-N 1 2 309.438 4.419 10 0 DIAELO Cc1nc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cs1 ZINC000126627773 526894287 /nfs/dbraw/zinc/89/42/87/526894287.db2.gz PLJBDSIYPOFAQA-INIZCTEOSA-N 1 2 314.454 4.378 10 0 DIAELO CCC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000162459812 1042126634 /nfs/dbraw/zinc/12/66/34/1042126634.db2.gz GMBYFVYETBWBBY-OALUTQOASA-N 1 2 320.440 4.334 10 0 DIAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1cccs1 ZINC000162533051 1042128100 /nfs/dbraw/zinc/12/81/00/1042128100.db2.gz UUDZAMRTWVTYMU-GOEBONIOSA-N 1 2 312.442 4.005 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(C)cc2C)c2ccccc2)[nH]1 ZINC000162585055 1042128993 /nfs/dbraw/zinc/12/89/93/1042128993.db2.gz BIRDIWJWSLKHSM-KXBFYZLASA-N 1 2 320.440 4.170 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(C)cc2C)c2ccccc2)[nH]1 ZINC000162585182 1042129724 /nfs/dbraw/zinc/12/97/24/1042129724.db2.gz BIRDIWJWSLKHSM-DNVCBOLYSA-N 1 2 320.440 4.170 10 0 DIAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000162610095 1042130254 /nfs/dbraw/zinc/13/02/54/1042130254.db2.gz LVLLRZCDHOWNTJ-ZWKOTPCHSA-N 1 2 324.403 4.083 10 0 DIAELO CC(C)(C)c1csc([C@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000092807516 185342411 /nfs/dbraw/zinc/34/24/11/185342411.db2.gz GKCCTOKJMJTLTQ-CYBMUJFWSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1csc([C@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000092807516 185342412 /nfs/dbraw/zinc/34/24/12/185342412.db2.gz GKCCTOKJMJTLTQ-CYBMUJFWSA-N 1 2 322.499 4.076 10 0 DIAELO Cc1c(Cn2ccnc2-c2cccc(F)c2)[nH+]c2ccc(C)cn12 ZINC000142678111 186032445 /nfs/dbraw/zinc/03/24/45/186032445.db2.gz VZYPHTOYDKGBNG-UHFFFAOYSA-N 1 2 320.371 4.002 10 0 DIAELO COc1cccc(Nc2cc(C)[nH+]c3ccc4c[nH]nc4c23)c1 ZINC000005116218 181204846 /nfs/dbraw/zinc/20/48/46/181204846.db2.gz IULCIXJJJIOGBE-UHFFFAOYSA-N 1 2 304.353 4.172 10 0 DIAELO CC(=O)N[C@@H](c1cccc(Oc2ccccc2)c1)[NH+]1CCCCC1 ZINC000090759629 192929569 /nfs/dbraw/zinc/92/95/69/192929569.db2.gz MPSKVACHNHNHKA-HXUWFJFHSA-N 1 2 324.424 4.100 10 0 DIAELO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ncc(C(C)(C)C)o1 ZINC000192356906 335027674 /nfs/dbraw/zinc/02/76/74/335027674.db2.gz KJTKKULSKDVENH-DOMZBBRYSA-N 1 2 314.429 4.406 10 0 DIAELO COc1ccc(C(=O)Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000040177040 183044393 /nfs/dbraw/zinc/04/43/93/183044393.db2.gz PDRNHHLCFJKORB-UHFFFAOYSA-N 1 2 320.392 4.421 10 0 DIAELO Cc1ccc(C)c(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040295668 183052780 /nfs/dbraw/zinc/05/27/80/183052780.db2.gz BKULOHQESAKGNK-UHFFFAOYSA-N 1 2 321.424 4.415 10 0 DIAELO Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)c1C ZINC000040295946 183052813 /nfs/dbraw/zinc/05/28/13/183052813.db2.gz PNHURUAIAKQHEG-UHFFFAOYSA-N 1 2 319.408 4.169 10 0 DIAELO Cc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295644 183052865 /nfs/dbraw/zinc/05/28/65/183052865.db2.gz LLDMYLKYLWETRD-UHFFFAOYSA-N 1 2 307.397 4.107 10 0 DIAELO CCc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295648 183053155 /nfs/dbraw/zinc/05/31/55/183053155.db2.gz HRUDJJJKFWFKPE-UHFFFAOYSA-N 1 2 321.424 4.361 10 0 DIAELO COc1ccc(CCn2c3ccccc3[nH+]c2C(C)C)cc1OC ZINC000040389932 183060145 /nfs/dbraw/zinc/06/01/45/183060145.db2.gz KDADGKQXSXHEDJ-UHFFFAOYSA-N 1 2 324.424 4.420 10 0 DIAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCCC3)c2N)cc1C ZINC000040702688 183120279 /nfs/dbraw/zinc/12/02/79/183120279.db2.gz GNBSDGYKNPFNGH-UHFFFAOYSA-N 1 2 311.433 4.164 10 0 DIAELO Cc1ccc(Cl)cc1Nc1[nH+]cnc(NC2CCCC2)c1N ZINC000040705079 183120980 /nfs/dbraw/zinc/12/09/80/183120980.db2.gz YKALWGKDJCMYEJ-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO Cc1ccc(Cl)cc1Nc1nc[nH+]c(NC2CCCC2)c1N ZINC000040705079 183120981 /nfs/dbraw/zinc/12/09/81/183120981.db2.gz YKALWGKDJCMYEJ-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO CC(C)CCNc1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040758998 183130717 /nfs/dbraw/zinc/13/07/17/183130717.db2.gz AGTBLOORLPGUPU-UHFFFAOYSA-N 1 2 321.428 4.414 10 0 DIAELO CC(C)CCNc1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040758998 183130720 /nfs/dbraw/zinc/13/07/20/183130720.db2.gz AGTBLOORLPGUPU-UHFFFAOYSA-N 1 2 321.428 4.414 10 0 DIAELO CCCCNc1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000041151191 183178712 /nfs/dbraw/zinc/17/87/12/183178712.db2.gz INGJNIVHUWJEGQ-UHFFFAOYSA-N 1 2 306.413 4.454 10 0 DIAELO CC(C)c1[nH+]c2ccccc2n1CCCOc1cccc(N)c1 ZINC000041582659 183207381 /nfs/dbraw/zinc/20/73/81/183207381.db2.gz UIBJAYODSHTILH-UHFFFAOYSA-N 1 2 309.413 4.211 10 0 DIAELO CCc1[nH+]c2ccccc2n1Cc1sccc1Br ZINC000059186616 184135528 /nfs/dbraw/zinc/13/55/28/184135528.db2.gz UUBJXDAWHGDUMA-UHFFFAOYSA-N 1 2 321.243 4.471 10 0 DIAELO C[C@H]([NH2+]Cc1cncs1)c1c(Cl)ccc(F)c1Cl ZINC000133060859 332136352 /nfs/dbraw/zinc/13/63/52/332136352.db2.gz XMURTYXCQKRDAT-ZETCQYMHSA-N 1 2 305.205 4.440 10 0 DIAELO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)c2ncc(C)s2)[nH]1 ZINC000123965707 333480907 /nfs/dbraw/zinc/48/09/07/333480907.db2.gz WYCJXKASIMMIJO-JTQLQIEISA-N 1 2 312.870 4.021 10 0 DIAELO Cc1cc(N[C@H](C)Cc2cccc(F)c2)nc(-c2cccnc2)[nH+]1 ZINC000301268246 336297707 /nfs/dbraw/zinc/29/77/07/336297707.db2.gz GCQNCAVRDMZUOK-CYBMUJFWSA-N 1 2 322.387 4.029 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)s1 ZINC000301275934 336298204 /nfs/dbraw/zinc/29/82/04/336298204.db2.gz WNOQGHXIWBQFBK-OCCSQVGLSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)s1 ZINC000301275934 336298205 /nfs/dbraw/zinc/29/82/05/336298205.db2.gz WNOQGHXIWBQFBK-OCCSQVGLSA-N 1 2 316.474 4.256 10 0 DIAELO CC(C)(C)c1nc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000301526809 336312558 /nfs/dbraw/zinc/31/25/58/336312558.db2.gz NRBIFLMCJMKREM-MNOVXSKESA-N 1 2 301.356 4.307 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)cc1F ZINC000301624611 336319033 /nfs/dbraw/zinc/31/90/33/336319033.db2.gz ZJXGRHSPGSHOHS-AWEZNQCLSA-N 1 2 314.408 4.088 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)cc1F ZINC000301624611 336319034 /nfs/dbraw/zinc/31/90/34/336319034.db2.gz ZJXGRHSPGSHOHS-AWEZNQCLSA-N 1 2 314.408 4.088 10 0 DIAELO Cc1cc(NCc2ccnc(OC(C)(C)C)c2)nc(C(C)C)[nH+]1 ZINC000301935010 336338819 /nfs/dbraw/zinc/33/88/19/336338819.db2.gz RFMKEFCGDRCFTM-UHFFFAOYSA-N 1 2 314.433 4.093 10 0 DIAELO Cc1oc2ccccc2c1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123319089 337044587 /nfs/dbraw/zinc/04/45/87/337044587.db2.gz QSIAYVKSPMCPAI-UHFFFAOYSA-N 1 2 323.440 4.156 10 0 DIAELO Cc1oc2ccccc2c1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000123319089 337044588 /nfs/dbraw/zinc/04/45/88/337044588.db2.gz QSIAYVKSPMCPAI-UHFFFAOYSA-N 1 2 323.440 4.156 10 0 DIAELO Cc1oc2ccccc2c1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000123319089 337044589 /nfs/dbraw/zinc/04/45/89/337044589.db2.gz QSIAYVKSPMCPAI-UHFFFAOYSA-N 1 2 323.440 4.156 10 0 DIAELO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000170988113 337085705 /nfs/dbraw/zinc/08/57/05/337085705.db2.gz YDGJAGNNUIUGTK-GOSISDBHSA-N 1 2 308.429 4.112 10 0 DIAELO CCn1ccnc1C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000170988113 337085706 /nfs/dbraw/zinc/08/57/06/337085706.db2.gz YDGJAGNNUIUGTK-GOSISDBHSA-N 1 2 308.429 4.112 10 0 DIAELO CCn1cc[nH+]c1CSCc1ccccc1Br ZINC000171753023 337089095 /nfs/dbraw/zinc/08/90/95/337089095.db2.gz OBJBCSGLFRPYMI-UHFFFAOYSA-N 1 2 311.248 4.099 10 0 DIAELO Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(C)c1 ZINC000185866814 337252008 /nfs/dbraw/zinc/25/20/08/337252008.db2.gz LYRJKCDENASVAF-UHFFFAOYSA-N 1 2 303.409 4.050 10 0 DIAELO Cc1cc(C)cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185876851 337252208 /nfs/dbraw/zinc/25/22/08/337252208.db2.gz SYBYSFMPXXBDKD-UHFFFAOYSA-N 1 2 303.409 4.050 10 0 DIAELO Cc1ccc(C)c(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185874272 337252232 /nfs/dbraw/zinc/25/22/32/337252232.db2.gz CIJCYIFIXRZGFB-UHFFFAOYSA-N 1 2 303.409 4.050 10 0 DIAELO COc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186061077 337253164 /nfs/dbraw/zinc/25/31/64/337253164.db2.gz FGQRAPKKNPZRLB-OAHLLOKOSA-N 1 2 319.408 4.003 10 0 DIAELO COc1ccccc1[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186061032 337253171 /nfs/dbraw/zinc/25/31/71/337253171.db2.gz HXTWOAVUNNCUNX-OAHLLOKOSA-N 1 2 319.408 4.003 10 0 DIAELO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(-c3ccccc3)cn1)CC2 ZINC000186053683 337253231 /nfs/dbraw/zinc/25/32/31/337253231.db2.gz RZUUSYQMVFAZJM-FQEVSTJZSA-N 1 2 315.420 4.229 10 0 DIAELO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186947150 337260610 /nfs/dbraw/zinc/26/06/10/337260610.db2.gz RLXYXHWSWRHAPV-IAQYHMDHSA-N 1 2 307.800 4.111 10 0 DIAELO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186947150 337260611 /nfs/dbraw/zinc/26/06/11/337260611.db2.gz RLXYXHWSWRHAPV-IAQYHMDHSA-N 1 2 307.800 4.111 10 0 DIAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000187939713 337268891 /nfs/dbraw/zinc/26/88/91/337268891.db2.gz MPLNWFARUZSEOR-ZWKOTPCHSA-N 1 2 324.403 4.083 10 0 DIAELO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000187939741 337268909 /nfs/dbraw/zinc/26/89/09/337268909.db2.gz MPLNWFARUZSEOR-QZTJIDSGSA-N 1 2 324.403 4.083 10 0 DIAELO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)c1F ZINC000192947584 337308620 /nfs/dbraw/zinc/30/86/20/337308620.db2.gz CJPZPHFUCOXRHX-CYBMUJFWSA-N 1 2 306.406 4.018 10 0 DIAELO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nccs2)c1F ZINC000192947584 337308621 /nfs/dbraw/zinc/30/86/21/337308621.db2.gz CJPZPHFUCOXRHX-CYBMUJFWSA-N 1 2 306.406 4.018 10 0 DIAELO C[C@@H]([NH2+]Cc1nccs1)c1c(Cl)ccc(F)c1Cl ZINC000041012043 337399998 /nfs/dbraw/zinc/39/99/98/337399998.db2.gz UZXQKNGGANOXII-SSDOTTSWSA-N 1 2 305.205 4.440 10 0 DIAELO Cn1c[nH+]cc1CNc1cccc(-c2ccc3ccccc3c2)n1 ZINC000162229402 337611109 /nfs/dbraw/zinc/61/11/09/337611109.db2.gz JETUABPSAIFKFD-UHFFFAOYSA-N 1 2 314.392 4.247 10 0 DIAELO Cn1nccc1CNc1cccc(-c2ccc3ccccc3c2)[nH+]1 ZINC000162229539 337611113 /nfs/dbraw/zinc/61/11/13/337611113.db2.gz OTHKHWIDKVKSCM-UHFFFAOYSA-N 1 2 314.392 4.247 10 0 DIAELO Cc1cc(C)c(NCc2[nH+]ccn2C(C)C)c(Br)c1 ZINC000431209469 338126009 /nfs/dbraw/zinc/12/60/09/338126009.db2.gz DUGPPJXHEAGQPQ-UHFFFAOYSA-N 1 2 322.250 4.455 10 0 DIAELO CC(C)n1cc[nH+]c1CNc1c2ncsc2ccc1Cl ZINC000453145501 338799381 /nfs/dbraw/zinc/79/93/81/338799381.db2.gz WLICEVPUISBRAP-UHFFFAOYSA-N 1 2 306.822 4.339 10 0 DIAELO Cc1cc[nH+]cc1N[C@@H]1CCc2c1cccc2Br ZINC000225848366 340571679 /nfs/dbraw/zinc/57/16/79/340571679.db2.gz WOEHVLYENVPHJG-CQSZACIVSA-N 1 2 303.203 4.252 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)o1 ZINC000194413561 340592232 /nfs/dbraw/zinc/59/22/32/340592232.db2.gz RAZZMMWOEZPPBK-KGLIPLIRSA-N 1 2 311.385 4.358 10 0 DIAELO CCc1cnc([C@H](C)Nc2cc(C(F)(F)F)cc[nH+]2)s1 ZINC000134927840 341226795 /nfs/dbraw/zinc/22/67/95/341226795.db2.gz BOHLONPFYJVSHK-QMMMGPOBSA-N 1 2 301.337 4.292 10 0 DIAELO CC(C)[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1nc(C2CC2)no1 ZINC000180858440 519799774 /nfs/dbraw/zinc/79/97/74/519799774.db2.gz CPPMOBVFXUEVPD-JKSUJKDBSA-N 1 2 315.392 4.060 10 0 DIAELO CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)c1nc(C2CC2)no1 ZINC000180856589 519821619 /nfs/dbraw/zinc/82/16/19/519821619.db2.gz JFBFQZRSBYEVCZ-YGRLFVJLSA-N 1 2 320.824 4.043 10 0 DIAELO CC(C)[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1nc(C2CC2)no1 ZINC000180858390 519821638 /nfs/dbraw/zinc/82/16/38/519821638.db2.gz CPPMOBVFXUEVPD-CVEARBPZSA-N 1 2 315.392 4.060 10 0 DIAELO CCc1nc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000181424305 522352863 /nfs/dbraw/zinc/35/28/63/522352863.db2.gz AJGUHEZSQNNDRN-CQSZACIVSA-N 1 2 307.397 4.150 10 0 DIAELO CCn1cc[nH+]c1CSCc1cccc(Br)c1 ZINC000106587001 523545203 /nfs/dbraw/zinc/54/52/03/523545203.db2.gz HDMAVWNLBGKRSM-UHFFFAOYSA-N 1 2 311.248 4.099 10 0 DIAELO CCc1cccc(C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000189474622 524070231 /nfs/dbraw/zinc/07/02/31/524070231.db2.gz SRIUJUVKZPAYII-UHFFFAOYSA-N 1 2 311.429 4.069 10 0 DIAELO Cc1csc(C2CC[NH+](Cc3csc(C(C)C)n3)CC2)n1 ZINC000156660962 526332521 /nfs/dbraw/zinc/33/25/21/526332521.db2.gz DGLZBNYLVJLFEB-UHFFFAOYSA-N 1 2 321.515 4.411 10 0 DIAELO c1csc([C@H]2CCCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000127681941 526587892 /nfs/dbraw/zinc/58/78/92/526587892.db2.gz PTHYAWRDZLQPRU-MRXNPFEDSA-N 1 2 312.438 4.146 10 0 DIAELO c1csc([C@H]2CCCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000127681941 526587897 /nfs/dbraw/zinc/58/78/97/526587897.db2.gz PTHYAWRDZLQPRU-MRXNPFEDSA-N 1 2 312.438 4.146 10 0 DIAELO CCC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000162460081 1042127988 /nfs/dbraw/zinc/12/79/88/1042127988.db2.gz GMBYFVYETBWBBY-RTBURBONSA-N 1 2 320.440 4.334 10 0 DIAELO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000162609949 1042130108 /nfs/dbraw/zinc/13/01/08/1042130108.db2.gz LVLLRZCDHOWNTJ-MSOLQXFVSA-N 1 2 324.403 4.083 10 0 DIAELO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000162610233 1042130885 /nfs/dbraw/zinc/13/08/85/1042130885.db2.gz LVLLRZCDHOWNTJ-QZTJIDSGSA-N 1 2 324.403 4.083 10 0 DIAELO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1nccs1 ZINC000070984373 190929153 /nfs/dbraw/zinc/92/91/53/190929153.db2.gz MUZVUTAWWYYVFA-VHSXEESVSA-N 1 2 311.248 4.317 10 0 DIAELO CCCC(=O)NCCCCCc1[nH+]c2ccccc2n1CCC ZINC000040211226 183045482 /nfs/dbraw/zinc/04/54/82/183045482.db2.gz PCLZQBBXHSFMSH-UHFFFAOYSA-N 1 2 315.461 4.075 10 0 DIAELO Cc1cccc(C)c1NC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295666 183052481 /nfs/dbraw/zinc/05/24/81/183052481.db2.gz VHSFDSCNMQXACF-UHFFFAOYSA-N 1 2 321.424 4.415 10 0 DIAELO CCc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000040295660 183052497 /nfs/dbraw/zinc/05/24/97/183052497.db2.gz QWXALVRGOFDKGL-UHFFFAOYSA-N 1 2 321.424 4.361 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)ccc1C ZINC000040295754 183052860 /nfs/dbraw/zinc/05/28/60/183052860.db2.gz LQRBSPXNZJMNKG-UHFFFAOYSA-N 1 2 321.424 4.244 10 0 DIAELO Cc1cc2[nH+]c(CCO)n(CCC3CCCCC3)c2cc1C ZINC000040310761 183053543 /nfs/dbraw/zinc/05/35/43/183053543.db2.gz QLTMETSPZOKJSL-UHFFFAOYSA-N 1 2 300.446 4.158 10 0 DIAELO Cc1cc([NH+](C)C)ccc1NCc1ccc(Br)cc1 ZINC000057667844 184045251 /nfs/dbraw/zinc/04/52/51/184045251.db2.gz RAPUEHPMXNCONI-UHFFFAOYSA-N 1 2 319.246 4.436 10 0 DIAELO Cc1ccc2oc(N3CCC[C@@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000275386557 130312834 /nfs/dbraw/zinc/31/28/34/130312834.db2.gz AIBYLPLFBUKMCA-MRXNPFEDSA-N 1 2 322.412 4.080 10 0 DIAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)o1 ZINC000220902957 331622408 /nfs/dbraw/zinc/62/24/08/331622408.db2.gz JARIDDIHKCXXRO-GHMZBOCLSA-N 1 2 309.207 4.157 10 0 DIAELO CCn1cc[nH+]c1C[S@](=O)Cc1ccc(-c2ccccc2)cc1 ZINC000176829843 332957772 /nfs/dbraw/zinc/95/77/72/332957772.db2.gz CFVGYGSUSKKMGP-HSZRJFAPSA-N 1 2 324.449 4.019 10 0 DIAELO Cc1c[nH+]cc(N[C@@H]2CCc3c2cccc3Br)c1 ZINC000225854175 333141229 /nfs/dbraw/zinc/14/12/29/333141229.db2.gz PAQXOPSYJLQEAN-OAHLLOKOSA-N 1 2 303.203 4.252 10 0 DIAELO c1coc([C@@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000192791171 336261956 /nfs/dbraw/zinc/26/19/56/336261956.db2.gz NYRNLAYCWMXZNC-PXNSSMCTSA-N 1 2 305.377 4.482 10 0 DIAELO c1ccc([C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccn2)cc1 ZINC000192794471 336262050 /nfs/dbraw/zinc/26/20/50/336262050.db2.gz IYEUXXJGMIUEJN-WIYYLYMNSA-N 1 2 316.404 4.284 10 0 DIAELO c1ccc([C@H]2OCC[C@H]2CNc2ccc3ccccc3[nH+]2)cc1 ZINC000301442464 336307048 /nfs/dbraw/zinc/30/70/48/336307048.db2.gz UTUMMZZRAONZPW-FXAWDEMLSA-N 1 2 304.393 4.425 10 0 DIAELO CC(C)(C)c1nc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000301526810 336312641 /nfs/dbraw/zinc/31/26/41/336312641.db2.gz NRBIFLMCJMKREM-QWRGUYRKSA-N 1 2 301.356 4.307 10 0 DIAELO Cc1cccnc1[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC000302066661 336346577 /nfs/dbraw/zinc/34/65/77/336346577.db2.gz WJJVOQNOSSLSAX-KRWDZBQOSA-N 1 2 310.445 4.176 10 0 DIAELO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000171111678 337086882 /nfs/dbraw/zinc/08/68/82/337086882.db2.gz GKQQZUKXKFVWET-JTQLQIEISA-N 1 2 319.817 4.302 10 0 DIAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2nccn2C(C)C)o1 ZINC000172870944 337131731 /nfs/dbraw/zinc/13/17/31/337131731.db2.gz RBTJXDLUAXIPRJ-MRXNPFEDSA-N 1 2 301.434 4.347 10 0 DIAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2nccn2C(C)C)o1 ZINC000172870944 337131732 /nfs/dbraw/zinc/13/17/32/337131732.db2.gz RBTJXDLUAXIPRJ-MRXNPFEDSA-N 1 2 301.434 4.347 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177112740 337154224 /nfs/dbraw/zinc/15/42/24/337154224.db2.gz XVKVMJHIVBJNNU-MPBGBICISA-N 1 2 310.850 4.127 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000177112716 337154251 /nfs/dbraw/zinc/15/42/51/337154251.db2.gz XVKVMJHIVBJNNU-FKIZINRSSA-N 1 2 310.850 4.127 10 0 DIAELO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1F ZINC000180414687 337174300 /nfs/dbraw/zinc/17/43/00/337174300.db2.gz UUQOTXQLSYNGRV-QZTJIDSGSA-N 1 2 324.403 4.083 10 0 DIAELO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1F ZINC000180414654 337174379 /nfs/dbraw/zinc/17/43/79/337174379.db2.gz UUQOTXQLSYNGRV-MSOLQXFVSA-N 1 2 324.403 4.083 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3c(F)cccc3F)n2)o1 ZINC000182582179 337189000 /nfs/dbraw/zinc/18/90/00/337189000.db2.gz KZUDEYNMXHNCBD-NSHDSACASA-N 1 2 318.323 4.372 10 0 DIAELO Clc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185864568 337252114 /nfs/dbraw/zinc/25/21/14/337252114.db2.gz XGXZFGBGECSIFX-UHFFFAOYSA-N 1 2 309.800 4.087 10 0 DIAELO Cc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1C ZINC000185878453 337252312 /nfs/dbraw/zinc/25/23/12/337252312.db2.gz KORQAYBESVOXAM-UHFFFAOYSA-N 1 2 303.409 4.050 10 0 DIAELO COc1cc2c(cc1OCc1ccccc1)C[C@H](C(C)C)[NH+]=C2 ZINC000584606473 337371683 /nfs/dbraw/zinc/37/16/83/337371683.db2.gz WEDJTEVFBVXBBI-GOSISDBHSA-N 1 2 309.409 4.274 10 0 DIAELO c1coc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccccn3)n2)c1 ZINC000116293953 337392628 /nfs/dbraw/zinc/39/26/28/337392628.db2.gz FSZWNAHJAXYUKO-HNNXBMFYSA-N 1 2 311.410 4.135 10 0 DIAELO c1coc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)c1 ZINC000116293953 337392629 /nfs/dbraw/zinc/39/26/29/337392629.db2.gz FSZWNAHJAXYUKO-HNNXBMFYSA-N 1 2 311.410 4.135 10 0 DIAELO Cc1cc[nH+]c(N[C@@H]2CCOc3ccccc32)c1Br ZINC000236001757 340662177 /nfs/dbraw/zinc/66/21/77/340662177.db2.gz PDHPGESJGQTAOF-GFCCVEGCSA-N 1 2 319.202 4.088 10 0 DIAELO CCCCc1noc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180719368 521336082 /nfs/dbraw/zinc/33/60/82/521336082.db2.gz KBMPMGFABVKGBG-JTQLQIEISA-N 1 2 311.788 4.056 10 0 DIAELO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000131488376 522908442 /nfs/dbraw/zinc/90/84/42/522908442.db2.gz UCFACNVBQRQGCO-ZIAGYGMSSA-N 1 2 317.433 4.079 10 0 DIAELO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(-c2ccccc2)cc1 ZINC000181424221 525558050 /nfs/dbraw/zinc/55/80/50/525558050.db2.gz QKGRNJZRHXGQNO-CQSZACIVSA-N 1 2 319.408 4.465 10 0 DIAELO Cc1c([C@H](C)Nc2ccc([NH+](C)C)cc2)cnn1C(C)(C)C ZINC000191466426 525926323 /nfs/dbraw/zinc/92/63/23/525926323.db2.gz MDCMEKXLQPXWMP-ZDUSSCGKSA-N 1 2 300.450 4.186 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3n2C(F)F)o1 ZINC000182572776 525929699 /nfs/dbraw/zinc/92/96/99/525929699.db2.gz RKLQUSMWKCUXNI-NSHDSACASA-N 1 2 305.328 4.184 10 0 DIAELO Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000159086123 526045929 /nfs/dbraw/zinc/04/59/29/526045929.db2.gz ZDEYTMUSVOQXFP-INIZCTEOSA-N 1 2 314.454 4.252 10 0 DIAELO Cc1ccc(C(=O)CC[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000159086123 526045938 /nfs/dbraw/zinc/04/59/38/526045938.db2.gz ZDEYTMUSVOQXFP-INIZCTEOSA-N 1 2 314.454 4.252 10 0 DIAELO C[C@@H](c1cnn(-c2ccccc2)c1)n1cc[nH+]c1-c1ccsc1 ZINC000071615157 563500401 /nfs/dbraw/zinc/50/04/01/563500401.db2.gz LHEDIGBDQDHBLK-AWEZNQCLSA-N 1 2 320.421 4.407 10 0 DIAELO C[C@H](c1cnn(-c2ccccc2)c1)n1cc[nH+]c1-c1ccsc1 ZINC000071615158 563500455 /nfs/dbraw/zinc/50/04/55/563500455.db2.gz LHEDIGBDQDHBLK-CQSZACIVSA-N 1 2 320.421 4.407 10 0 DIAELO C[C@H](Nc1ccc[nH+]c1N(C)C)c1ccccc1C(F)(F)F ZINC000170624741 563908758 /nfs/dbraw/zinc/90/87/58/563908758.db2.gz JUPLDIKCYUQUGT-NSHDSACASA-N 1 2 309.335 4.340 10 0 DIAELO CCc1ccc([C@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162483905 1042127890 /nfs/dbraw/zinc/12/78/90/1042127890.db2.gz HSBIQHPJHAFGRW-LIRRHRJNSA-N 1 2 320.440 4.116 10 0 DIAELO CCc1ccc([C@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162484151 1042127950 /nfs/dbraw/zinc/12/79/50/1042127950.db2.gz HSBIQHPJHAFGRW-IFXJQAMLSA-N 1 2 320.440 4.116 10 0 DIAELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000076892289 185050723 /nfs/dbraw/zinc/05/07/23/185050723.db2.gz BOANTZMLJKXMBT-LBPRGKRZSA-N 1 2 315.367 4.185 10 0 DIAELO Cc1cc(Cn2cc[nH+]c2-c2cccc(-c3ccco3)c2)on1 ZINC000071715078 191010933 /nfs/dbraw/zinc/01/09/33/191010933.db2.gz RXUVWNYEYNKTLR-UHFFFAOYSA-N 1 2 305.337 4.155 10 0 DIAELO c1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccncc1 ZINC000071704079 191011405 /nfs/dbraw/zinc/01/14/05/191011405.db2.gz IHVLQYZYUOLNRD-IBGZPJMESA-N 1 2 300.365 4.159 10 0 DIAELO CCN(CC)c1nc(NCc2ccc(C)cc2)c2ccccc2[nH+]1 ZINC000072260656 191088089 /nfs/dbraw/zinc/08/80/89/191088089.db2.gz JUJGCNPWJMZVOF-UHFFFAOYSA-N 1 2 320.440 4.397 10 0 DIAELO CC(C)c1ccc(Sc2cccc3[nH+]c(N)nc(N)c32)cc1 ZINC000005882454 181292609 /nfs/dbraw/zinc/29/26/09/181292609.db2.gz YTDGVNHOHLEJNG-UHFFFAOYSA-N 1 2 310.426 4.069 10 0 DIAELO COc1nc2c(cc1C(=[NH2+])Nc1ccc(Cl)cc1)CCCC2 ZINC000033895407 182726131 /nfs/dbraw/zinc/72/61/31/182726131.db2.gz WQOHSRDNSIYDTF-UHFFFAOYSA-N 1 2 315.804 4.060 10 0 DIAELO C[C@@H](Nc1ccc[nH+]c1N(C)C)c1ccccc1Br ZINC000037028909 182862526 /nfs/dbraw/zinc/86/25/26/182862526.db2.gz RRTXBWLDKQIWJM-LLVKDONJSA-N 1 2 320.234 4.083 10 0 DIAELO COc1cccc(OCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231275 183047922 /nfs/dbraw/zinc/04/79/22/183047922.db2.gz XMNHSTGUYDEIMH-UHFFFAOYSA-N 1 2 310.397 4.247 10 0 DIAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)cc1C ZINC000040295956 183052878 /nfs/dbraw/zinc/05/28/78/183052878.db2.gz SSSSPQYQYWCHLT-UHFFFAOYSA-N 1 2 319.408 4.169 10 0 DIAELO Cc1cc2c(nc(Cl)nc2Nc2ccc([NH+](C)C)cc2)s1 ZINC000058411381 184114618 /nfs/dbraw/zinc/11/46/18/184114618.db2.gz CCDBVQDHVLTGKR-UHFFFAOYSA-N 1 2 318.833 4.463 10 0 DIAELO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000114748782 332328913 /nfs/dbraw/zinc/32/89/13/332328913.db2.gz ZOFMEKHEKQAAOO-QWHCGFSZSA-N 1 2 301.434 4.341 10 0 DIAELO Cc1ccc(N[C@H]2CCc3sc(Br)cc32)c[nH+]1 ZINC000310084997 333217573 /nfs/dbraw/zinc/21/75/73/333217573.db2.gz GFBLSEHZGFNFIH-NSHDSACASA-N 1 2 309.232 4.313 10 0 DIAELO Cc1csc(CN(C)c2cc(C)[nH+]c3c(F)cccc23)n1 ZINC000301641919 336320156 /nfs/dbraw/zinc/32/01/56/336320156.db2.gz BPPAGKNZNGCBAN-UHFFFAOYSA-N 1 2 301.390 4.084 10 0 DIAELO Cc1cnc(CCNc2cc(C)[nH+]c3c(F)cccc23)s1 ZINC000301658602 336321329 /nfs/dbraw/zinc/32/13/29/336321329.db2.gz IPLTWRAXUWDENY-UHFFFAOYSA-N 1 2 301.390 4.102 10 0 DIAELO CCn1cc[nH+]c1CSCc1ccc(Br)cc1 ZINC000171753123 337089075 /nfs/dbraw/zinc/08/90/75/337089075.db2.gz FSBBTUYGXUGLIB-UHFFFAOYSA-N 1 2 311.248 4.099 10 0 DIAELO CO[C@@H](C)c1nc(C[N@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000175075121 337144288 /nfs/dbraw/zinc/14/42/88/337144288.db2.gz PFKUAXHOAQNTAS-AWEZNQCLSA-N 1 2 314.454 4.140 10 0 DIAELO CO[C@@H](C)c1nc(C[N@@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000175075121 337144289 /nfs/dbraw/zinc/14/42/89/337144289.db2.gz PFKUAXHOAQNTAS-AWEZNQCLSA-N 1 2 314.454 4.140 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177112754 337154306 /nfs/dbraw/zinc/15/43/06/337154306.db2.gz XVKVMJHIVBJNNU-ODXCJYRJSA-N 1 2 310.850 4.127 10 0 DIAELO CCn1cc[nH+]c1CSCCOc1ccc(F)cc1Cl ZINC000180258578 337175584 /nfs/dbraw/zinc/17/55/84/337175584.db2.gz JAKZKFJSALRJDV-UHFFFAOYSA-N 1 2 314.813 4.008 10 0 DIAELO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000181870643 337185185 /nfs/dbraw/zinc/18/51/85/337185185.db2.gz FSHFYJYFIDOXHU-BBRMVZONSA-N 1 2 324.428 4.081 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1F ZINC000185826510 337250587 /nfs/dbraw/zinc/25/05/87/337250587.db2.gz ADHQXQMHBBPDNS-CQSZACIVSA-N 1 2 307.372 4.134 10 0 DIAELO Cc1cccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185823205 337250594 /nfs/dbraw/zinc/25/05/94/337250594.db2.gz CMLAEOBEJYSNGB-INIZCTEOSA-N 1 2 303.409 4.303 10 0 DIAELO Fc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cn1 ZINC000189282798 337278273 /nfs/dbraw/zinc/27/82/73/337278273.db2.gz ZIPAYYZLVZTFIB-AWEZNQCLSA-N 1 2 313.401 4.168 10 0 DIAELO Fc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cn1 ZINC000189282798 337278274 /nfs/dbraw/zinc/27/82/74/337278274.db2.gz ZIPAYYZLVZTFIB-AWEZNQCLSA-N 1 2 313.401 4.168 10 0 DIAELO COc1cccc(Oc2cc[nH+]c(Nc3ccccc3N)c2)c1 ZINC000584614254 337372670 /nfs/dbraw/zinc/37/26/70/337372670.db2.gz BOGIXBWILSUTSL-UHFFFAOYSA-N 1 2 307.353 4.208 10 0 DIAELO c1cn(Cc2cc(Cn3cc[nH+]c3)cc(C3CCCCC3)c2)cn1 ZINC000584654151 337377681 /nfs/dbraw/zinc/37/76/81/337377681.db2.gz QCXKGMVUBXHZBN-UHFFFAOYSA-N 1 2 320.440 4.224 10 0 DIAELO FC(F)(F)c1ccc(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000195104384 337465117 /nfs/dbraw/zinc/46/51/17/337465117.db2.gz JQXLNRACDJQYMZ-AWEZNQCLSA-N 1 2 318.302 4.025 10 0 DIAELO c1csc([C@H]([NH2+][C@@H]2CCCc3sccc32)c2ncc[nH]2)c1 ZINC000195119445 337465430 /nfs/dbraw/zinc/46/54/30/337465430.db2.gz NSWFSUSHLZCLID-DOMZBBRYSA-N 1 2 315.467 4.289 10 0 DIAELO CCCC[C@H](CC)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000117258840 337846797 /nfs/dbraw/zinc/84/67/97/337846797.db2.gz JVJKLYXMKMZGPX-HNNXBMFYSA-N 1 2 319.493 4.035 10 0 DIAELO CCn1cc[nH+]c1CSCc1ccc(Br)s1 ZINC000083633185 337995795 /nfs/dbraw/zinc/99/57/95/337995795.db2.gz FIGJDUGZOZXHCR-UHFFFAOYSA-N 1 2 317.277 4.160 10 0 DIAELO CC(C)CC(C)(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000084555250 338003525 /nfs/dbraw/zinc/00/35/25/338003525.db2.gz MFNZTBFUAUMDFR-HNNXBMFYSA-N 1 2 313.445 4.122 10 0 DIAELO Cc1cccc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174144714 340382971 /nfs/dbraw/zinc/38/29/71/340382971.db2.gz ISBAGUSCEGTOAZ-OAHLLOKOSA-N 1 2 320.396 4.063 10 0 DIAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccccc2Br)o1 ZINC000220888303 340519771 /nfs/dbraw/zinc/51/97/71/340519771.db2.gz ZJEHYWUWCFQETB-GHMZBOCLSA-N 1 2 309.207 4.157 10 0 DIAELO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccncc1Cl ZINC000075711595 341181288 /nfs/dbraw/zinc/18/12/88/341181288.db2.gz WOMXYUATXKNOLN-QGZVFWFLSA-N 1 2 316.832 4.087 10 0 DIAELO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccncc1Cl ZINC000075711595 341181289 /nfs/dbraw/zinc/18/12/89/341181289.db2.gz WOMXYUATXKNOLN-QGZVFWFLSA-N 1 2 316.832 4.087 10 0 DIAELO c1csc(-c2ncc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)s2)c1 ZINC000245546928 341301066 /nfs/dbraw/zinc/30/10/66/341301066.db2.gz WAOYDTZVODSLIL-KGLIPLIRSA-N 1 2 320.483 4.015 10 0 DIAELO c1csc(-c2ncc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)s2)c1 ZINC000245546928 341301067 /nfs/dbraw/zinc/30/10/67/341301067.db2.gz WAOYDTZVODSLIL-KGLIPLIRSA-N 1 2 320.483 4.015 10 0 DIAELO C[C@H]([NH2+]Cc1nc(-c2cccs2)no1)c1cccc(Cl)c1 ZINC000171117145 341771841 /nfs/dbraw/zinc/77/18/41/341771841.db2.gz CXLKERFTGQYTNB-JTQLQIEISA-N 1 2 319.817 4.302 10 0 DIAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2noc(C(C)C)n2)cc1 ZINC000181404074 519763469 /nfs/dbraw/zinc/76/34/69/519763469.db2.gz LKMCKHRMDNPKDY-CQSZACIVSA-N 1 2 317.433 4.079 10 0 DIAELO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1nc(C2CC2)no1 ZINC000180856578 519799545 /nfs/dbraw/zinc/79/95/45/519799545.db2.gz JFBFQZRSBYEVCZ-IINYFYTJSA-N 1 2 320.824 4.043 10 0 DIAELO CCCCc1nc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)no1 ZINC000181500498 521302352 /nfs/dbraw/zinc/30/23/52/521302352.db2.gz NLLHPSFQCMRCRS-AWEZNQCLSA-N 1 2 309.413 4.416 10 0 DIAELO CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1C ZINC000189927506 521668607 /nfs/dbraw/zinc/66/86/07/521668607.db2.gz VKNBQKZGFTVJRM-KRWDZBQOSA-N 1 2 318.490 4.012 10 0 DIAELO CCCn1nc(C)c(C[N@H+]2CCC[C@H]2c2csc(C)n2)c1C ZINC000189927506 521668609 /nfs/dbraw/zinc/66/86/09/521668609.db2.gz VKNBQKZGFTVJRM-KRWDZBQOSA-N 1 2 318.490 4.012 10 0 DIAELO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000182007673 523731948 /nfs/dbraw/zinc/73/19/48/523731948.db2.gz GSZQCOVCJFAGTC-MLGOLLRUSA-N 1 2 324.428 4.081 10 0 DIAELO C[N@@H+]1C(C)(C)N(O)C(c2ccccc2)(c2ccccc2)C1(C)C ZINC000103558870 563561117 /nfs/dbraw/zinc/56/11/17/563561117.db2.gz LQKFHKJBFGLSQG-UHFFFAOYSA-N 1 2 309.433 4.038 10 0 DIAELO C[N@H+]1C(C)(C)N(O)C(c2ccccc2)(c2ccccc2)C1(C)C ZINC000103558870 563561119 /nfs/dbraw/zinc/56/11/19/563561119.db2.gz LQKFHKJBFGLSQG-UHFFFAOYSA-N 1 2 309.433 4.038 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)c2ccccc2)[nH]1 ZINC000162528909 1042127296 /nfs/dbraw/zinc/12/72/96/1042127296.db2.gz BEKRQWGEOCDRLW-DNVCBOLYSA-N 1 2 320.440 4.170 10 0 DIAELO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(C)cc1 ZINC000162484924 1042127610 /nfs/dbraw/zinc/12/76/10/1042127610.db2.gz SNLHXLKXBXIIAV-MOPGFXCFSA-N 1 2 320.440 4.252 10 0 DIAELO Brc1ccccc1-c1[nH+]ccn1Cc1ccccc1 ZINC000082739493 185199834 /nfs/dbraw/zinc/19/98/34/185199834.db2.gz XNGRIYBXEPZGMP-UHFFFAOYSA-N 1 2 313.198 4.361 10 0 DIAELO C[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccc(Cl)cc1Cl ZINC000235220984 201913089 /nfs/dbraw/zinc/91/30/89/201913089.db2.gz RMPYMPCXMDADKQ-ZCFIWIBFSA-N 1 2 317.607 4.192 10 0 DIAELO C[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccc(Cl)cc1Cl ZINC000235220984 201913092 /nfs/dbraw/zinc/91/30/92/201913092.db2.gz RMPYMPCXMDADKQ-ZCFIWIBFSA-N 1 2 317.607 4.192 10 0 DIAELO COc1cc(OC)c([NH2+]CCCc2ccccc2)cc1Cl ZINC000019980463 182172885 /nfs/dbraw/zinc/17/28/85/182172885.db2.gz XWZWWGGFOXWFRX-UHFFFAOYSA-N 1 2 305.805 4.402 10 0 DIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1cc(C)ccc1C ZINC000040295576 183052994 /nfs/dbraw/zinc/05/29/94/183052994.db2.gz ZQUVRLMRSOSZGM-UHFFFAOYSA-N 1 2 321.424 4.217 10 0 DIAELO Cc1cc2[nH+]c(CCCO)n(CCCc3ccccc3)c2cc1C ZINC000040311047 183053632 /nfs/dbraw/zinc/05/36/32/183053632.db2.gz OKNIXBWLHIFOHX-UHFFFAOYSA-N 1 2 322.452 4.211 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CCc1ccc(OC)c(OC)c1 ZINC000040389937 183060176 /nfs/dbraw/zinc/06/01/76/183060176.db2.gz HUDJPFHDKCXOHH-UHFFFAOYSA-N 1 2 324.424 4.249 10 0 DIAELO COC(=O)c1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000041055111 183159466 /nfs/dbraw/zinc/15/94/66/183159466.db2.gz KPBFOTWFIBUUNI-UHFFFAOYSA-N 1 2 312.756 4.418 10 0 DIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)Nc1cccc(C)c1 ZINC000065336267 184325068 /nfs/dbraw/zinc/32/50/68/184325068.db2.gz NFJQJUIFWJUADV-UHFFFAOYSA-N 1 2 312.417 4.067 10 0 DIAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)o1 ZINC000220903018 331622397 /nfs/dbraw/zinc/62/23/97/331622397.db2.gz JARIDDIHKCXXRO-MNOVXSKESA-N 1 2 309.207 4.157 10 0 DIAELO c1csc(-c2ncc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)s2)c1 ZINC000091979122 332116463 /nfs/dbraw/zinc/11/64/63/332116463.db2.gz WAOYDTZVODSLIL-KBPBESRZSA-N 1 2 320.483 4.015 10 0 DIAELO c1csc(-c2ncc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)s2)c1 ZINC000091979122 332116465 /nfs/dbraw/zinc/11/64/65/332116465.db2.gz WAOYDTZVODSLIL-KBPBESRZSA-N 1 2 320.483 4.015 10 0 DIAELO c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1COc2ccccc21 ZINC000180882601 332144582 /nfs/dbraw/zinc/14/45/82/332144582.db2.gz IHQMPVNCQUCQPO-QGZVFWFLSA-N 1 2 307.349 4.295 10 0 DIAELO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000114748786 332328892 /nfs/dbraw/zinc/32/88/92/332328892.db2.gz ZOFMEKHEKQAAOO-CHWSQXEVSA-N 1 2 301.434 4.341 10 0 DIAELO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000178452077 333139062 /nfs/dbraw/zinc/13/90/62/333139062.db2.gz JBODCKLOOPUTEN-ZDUSSCGKSA-N 1 2 301.434 4.341 10 0 DIAELO Cc1cnn([C@H]2CCCN(c3cc(C)[nH+]c4c(F)cccc34)C2)c1 ZINC000124912794 334772685 /nfs/dbraw/zinc/77/26/85/334772685.db2.gz NGFOCYGZVRNDGD-HNNXBMFYSA-N 1 2 324.403 4.029 10 0 DIAELO c1ccc([C@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccn2)cc1 ZINC000192794482 336262146 /nfs/dbraw/zinc/26/21/46/336262146.db2.gz IYEUXXJGMIUEJN-RXVVDRJESA-N 1 2 316.404 4.284 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(N3CCC[C@H](C)C3)nc[nH+]2)s1 ZINC000301275931 336298301 /nfs/dbraw/zinc/29/83/01/336298301.db2.gz WNOQGHXIWBQFBK-JSGCOSHPSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(N3CCC[C@H](C)C3)[nH+]cn2)s1 ZINC000301275931 336298302 /nfs/dbraw/zinc/29/83/02/336298302.db2.gz WNOQGHXIWBQFBK-JSGCOSHPSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(N3CCCCC3)nc[nH+]2)cc1F ZINC000301624612 336318982 /nfs/dbraw/zinc/31/89/82/336318982.db2.gz ZJXGRHSPGSHOHS-CQSZACIVSA-N 1 2 314.408 4.088 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(N3CCCCC3)[nH+]cn2)cc1F ZINC000301624612 336318983 /nfs/dbraw/zinc/31/89/83/336318983.db2.gz ZJXGRHSPGSHOHS-CQSZACIVSA-N 1 2 314.408 4.088 10 0 DIAELO Cc1cc(NCc2cc(Cl)c(Cl)n2C)nc(C(C)C)[nH+]1 ZINC000301647729 336320687 /nfs/dbraw/zinc/32/06/87/336320687.db2.gz ONDAWOABWIJXMF-UHFFFAOYSA-N 1 2 313.232 4.166 10 0 DIAELO C=Cn1cc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)cn1 ZINC000194239469 337086196 /nfs/dbraw/zinc/08/61/96/337086196.db2.gz KTBRTCANVBCRMU-SECBINFHSA-N 1 2 314.191 4.280 10 0 DIAELO C[C@@H](NC(=O)CCC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948423 337137929 /nfs/dbraw/zinc/13/79/29/337137929.db2.gz HQIWQBZIBHWDTH-OAHLLOKOSA-N 1 2 311.429 4.020 10 0 DIAELO O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCn2cc[nH+]c21 ZINC000174916402 337143654 /nfs/dbraw/zinc/14/36/54/337143654.db2.gz WORWXBKXGOMMTJ-KRWDZBQOSA-N 1 2 317.392 4.066 10 0 DIAELO CO[C@@H](C)c1nc(C[N@H+]2CC=C(c3cccs3)CC2)cs1 ZINC000175245129 337146584 /nfs/dbraw/zinc/14/65/84/337146584.db2.gz MMRUGUYIXVLCOS-LBPRGKRZSA-N 1 2 320.483 4.201 10 0 DIAELO CO[C@@H](C)c1nc(C[N@@H+]2CC=C(c3cccs3)CC2)cs1 ZINC000175245129 337146585 /nfs/dbraw/zinc/14/65/85/337146585.db2.gz MMRUGUYIXVLCOS-LBPRGKRZSA-N 1 2 320.483 4.201 10 0 DIAELO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3ccncc3)o2)cc1C ZINC000181600423 337183280 /nfs/dbraw/zinc/18/32/80/337183280.db2.gz KOZLCLNJYKXIQC-LSDHHAIUSA-N 1 2 322.412 4.160 10 0 DIAELO CC[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1cccs1 ZINC000184055935 337197007 /nfs/dbraw/zinc/19/70/07/337197007.db2.gz HDIKKPXQPZGAMK-NSHDSACASA-N 1 2 305.428 4.101 10 0 DIAELO CC(C)(CC1CCCCCC1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000188908216 337275623 /nfs/dbraw/zinc/27/56/23/337275623.db2.gz XYHOCZBSFAGJFC-INIZCTEOSA-N 1 2 317.477 4.016 10 0 DIAELO COc1ccc2c(cc(C)[nH+]c2[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000584619877 337371361 /nfs/dbraw/zinc/37/13/61/337371361.db2.gz JXJUGWZZQFVQSG-SFHVURJKSA-N 1 2 313.784 4.287 10 0 DIAELO COc1cc2c[nH+]cc(Cc3cnc4ccccc4c3)c2cc1O ZINC000584639802 337379858 /nfs/dbraw/zinc/37/98/58/337379858.db2.gz SMVBLBOJJGZIFN-UHFFFAOYSA-N 1 2 316.360 4.088 10 0 DIAELO COc1cc2c(c[nH+]cc2Cc2cnc3ccccc3c2)cc1O ZINC000584640218 337379952 /nfs/dbraw/zinc/37/99/52/337379952.db2.gz HPQYQVJEPMKWNS-UHFFFAOYSA-N 1 2 316.360 4.088 10 0 DIAELO C[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccc(Cl)cc1 ZINC000112537286 337390504 /nfs/dbraw/zinc/39/05/04/337390504.db2.gz PJHLXJMAMWKSRX-SNVBAGLBSA-N 1 2 319.817 4.302 10 0 DIAELO c1coc([C@H]2CCC[N@H+]2Cc2csc(-c3ccoc3)n2)c1 ZINC000116294749 337392449 /nfs/dbraw/zinc/39/24/49/337392449.db2.gz ODNHEUCKUXYJAX-CQSZACIVSA-N 1 2 300.383 4.333 10 0 DIAELO c1coc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccoc3)n2)c1 ZINC000116294749 337392450 /nfs/dbraw/zinc/39/24/50/337392450.db2.gz ODNHEUCKUXYJAX-CQSZACIVSA-N 1 2 300.383 4.333 10 0 DIAELO c1coc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)cs2)c1 ZINC000116290770 337392475 /nfs/dbraw/zinc/39/24/75/337392475.db2.gz VDYQNNDGSMUUQF-CYBMUJFWSA-N 1 2 300.383 4.333 10 0 DIAELO c1coc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccco3)cs2)c1 ZINC000116290770 337392476 /nfs/dbraw/zinc/39/24/76/337392476.db2.gz VDYQNNDGSMUUQF-CYBMUJFWSA-N 1 2 300.383 4.333 10 0 DIAELO FC(F)n1c(C[N@@H+]2CCC[C@H]2c2ccco2)nc2ccccc21 ZINC000116404633 337392731 /nfs/dbraw/zinc/39/27/31/337392731.db2.gz CSZMAXKRDLACKE-AWEZNQCLSA-N 1 2 317.339 4.362 10 0 DIAELO FC(F)n1c(C[N@H+]2CCC[C@H]2c2ccco2)nc2ccccc21 ZINC000116404633 337392732 /nfs/dbraw/zinc/39/27/32/337392732.db2.gz CSZMAXKRDLACKE-AWEZNQCLSA-N 1 2 317.339 4.362 10 0 DIAELO C[C@H](NC(=O)C1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931444 340377995 /nfs/dbraw/zinc/37/79/95/340377995.db2.gz IFFPWRMHBDAIIM-HNNXBMFYSA-N 1 2 311.429 4.020 10 0 DIAELO Cc1cncc([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000184472216 340493084 /nfs/dbraw/zinc/49/30/84/340493084.db2.gz VHBJYNQBJCJLQO-CYBMUJFWSA-N 1 2 312.804 4.402 10 0 DIAELO Cc1cc[nH+]cc1N[C@H]1CCc2c1cccc2Br ZINC000225848382 340571710 /nfs/dbraw/zinc/57/17/10/340571710.db2.gz WOEHVLYENVPHJG-AWEZNQCLSA-N 1 2 303.203 4.252 10 0 DIAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cnn(C)c1 ZINC000125879958 340813503 /nfs/dbraw/zinc/81/35/03/340813503.db2.gz QPOHAYVHMPVLEX-IUCAKERBSA-N 1 2 316.207 4.278 10 0 DIAELO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128293383 340866372 /nfs/dbraw/zinc/86/63/72/340866372.db2.gz MCTIPKGOMGJPKY-RBUKOAKNSA-N 1 2 321.399 4.305 10 0 DIAELO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000130515129 341025394 /nfs/dbraw/zinc/02/53/94/341025394.db2.gz UXXCJLQWWJLNQH-UPJWGTAASA-N 1 2 320.820 4.165 10 0 DIAELO CC(C)c1ccc([C@H](C)[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000248439279 341377880 /nfs/dbraw/zinc/37/78/80/341377880.db2.gz CKXSAEKBNFSYOG-WMLDXEAASA-N 1 2 316.470 4.401 10 0 DIAELO CC(C)c1ccc([C@H](C)[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000248439279 341377881 /nfs/dbraw/zinc/37/78/81/341377881.db2.gz CKXSAEKBNFSYOG-WMLDXEAASA-N 1 2 316.470 4.401 10 0 DIAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1 ZINC000181395406 519763939 /nfs/dbraw/zinc/76/39/39/519763939.db2.gz VGHBWIDWGQRMCI-AWEZNQCLSA-N 1 2 317.433 4.079 10 0 DIAELO CCc1[nH+]c2ccccc2n1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000073636098 522503740 /nfs/dbraw/zinc/50/37/40/522503740.db2.gz WFJWWNWCTYLXRW-UHFFFAOYSA-N 1 2 310.788 4.177 10 0 DIAELO CCc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1 ZINC000155885638 524046455 /nfs/dbraw/zinc/04/64/55/524046455.db2.gz MIZXKGUZIBDPON-LBPRGKRZSA-N 1 2 313.426 4.211 10 0 DIAELO Cc1ccccc1Cc1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000181536919 525206345 /nfs/dbraw/zinc/20/63/45/525206345.db2.gz MTQCCACIBUWEST-INIZCTEOSA-N 1 2 321.424 4.128 10 0 DIAELO CCCCOC(=O)c1ccc(-c2[nH]c3cc(C)c(N)cc3[nH+]2)cc1 ZINC000078400765 563512250 /nfs/dbraw/zinc/51/22/50/563512250.db2.gz ZQMBGTREJFZNRO-UHFFFAOYSA-N 1 2 323.396 4.077 10 0 DIAELO Cc1cccc(C)c1Nc1ncc(-c2ccncc2)n2c[nH+]cc12 ZINC000028641752 581093057 /nfs/dbraw/zinc/09/30/57/581093057.db2.gz KTCZHEVTKTYFPQ-UHFFFAOYSA-N 1 2 315.380 4.152 10 0 DIAELO CC(C)(C)c1ccc(Sc2cccc3[nH+]c(N)nc(N)c32)cc1 ZINC000008657832 581093324 /nfs/dbraw/zinc/09/33/24/581093324.db2.gz MNYDVPDMLAJJPB-UHFFFAOYSA-N 1 2 324.453 4.243 10 0 investigational DIAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000162466103 1042127335 /nfs/dbraw/zinc/12/73/35/1042127335.db2.gz CNHAOTSQWOIORY-BEFAXECRSA-N 1 2 320.440 4.170 10 0 DIAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000090223711 185287305 /nfs/dbraw/zinc/28/73/05/185287305.db2.gz CCQIADGGDVGTAU-CZUORRHYSA-N 1 2 322.412 4.032 10 0 DIAELO CCOC(=O)c1c[nH+]c2cc(Cl)c(C)cc2c1N(CC)CC ZINC000072237411 191080896 /nfs/dbraw/zinc/08/08/96/191080896.db2.gz KFPPWRQFZCIBEZ-UHFFFAOYSA-N 1 2 320.820 4.220 10 0 DIAELO Cc1ccc(CNc2nc(N3CCCC3)[nH+]c3ccccc32)cc1 ZINC000072260657 191088852 /nfs/dbraw/zinc/08/88/52/191088852.db2.gz JOMDHMSOJWXROT-UHFFFAOYSA-N 1 2 318.424 4.151 10 0 DIAELO C[C@@H]([NH3+])c1ccc(OCc2ccccc2)c(Br)c1 ZINC000003705499 181044650 /nfs/dbraw/zinc/04/46/50/181044650.db2.gz UBXDFTIMINJQDQ-LLVKDONJSA-N 1 2 306.203 4.048 10 0 DIAELO Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000005238428 181220341 /nfs/dbraw/zinc/22/03/41/181220341.db2.gz ZUMMBELBKMQKQI-UHFFFAOYSA-N 1 2 307.397 4.107 10 0 DIAELO CC(=O)N[C@H](c1cccc(Oc2ccccc2)c1)[NH+]1CCCCC1 ZINC000090759630 192929046 /nfs/dbraw/zinc/92/90/46/192929046.db2.gz MPSKVACHNHNHKA-FQEVSTJZSA-N 1 2 324.424 4.100 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000006654370 181366092 /nfs/dbraw/zinc/36/60/92/181366092.db2.gz FHEBRTPSPNRJDG-UHFFFAOYSA-N 1 2 321.424 4.244 10 0 DIAELO Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c(C)[nH+]1 ZINC000152334256 334996210 /nfs/dbraw/zinc/99/62/10/334996210.db2.gz UABFEGYRDDHDFV-JTQLQIEISA-N 1 2 321.783 4.374 10 0 DIAELO Cc1cc(Nc2ccc([NH+](C)C)cc2)c2cccc(C(=O)[O-])c2[nH+]1 ZINC000019794250 182150270 /nfs/dbraw/zinc/15/02/70/182150270.db2.gz LJZYRFSQJKQAQT-UHFFFAOYSA-N 1 2 321.380 4.051 10 0 DIAELO CCc1[nH+]c2ccccc2n1CCCCOc1ccc(OC)cc1 ZINC000040231155 183047997 /nfs/dbraw/zinc/04/79/97/183047997.db2.gz XCRRSRAPYXSELD-UHFFFAOYSA-N 1 2 324.424 4.467 10 0 DIAELO COc1cccc(OCCn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000040231625 183048628 /nfs/dbraw/zinc/04/86/28/183048628.db2.gz IYGGDTISNLGPQH-UHFFFAOYSA-N 1 2 308.381 4.001 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000040295752 183052500 /nfs/dbraw/zinc/05/25/00/183052500.db2.gz BWTWJFTUKZSCCG-UHFFFAOYSA-N 1 2 321.424 4.244 10 0 DIAELO Cc1cc(C)cc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000040295954 183052727 /nfs/dbraw/zinc/05/27/27/183052727.db2.gz BKHKQCVRWQPMTC-UHFFFAOYSA-N 1 2 319.408 4.169 10 0 DIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccc(C)cc1C ZINC000040295572 183052774 /nfs/dbraw/zinc/05/27/74/183052774.db2.gz WWWMSTVWPIVWPT-UHFFFAOYSA-N 1 2 321.424 4.217 10 0 DIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000040295578 183053086 /nfs/dbraw/zinc/05/30/86/183053086.db2.gz XJYSQSUZOGGBTC-UHFFFAOYSA-N 1 2 321.424 4.217 10 0 DIAELO c1ccc2c(c1)[nH]c1c2CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000040632092 183111771 /nfs/dbraw/zinc/11/17/71/183111771.db2.gz PVBKXYNBDRQYAR-UHFFFAOYSA-N 1 2 313.404 4.274 10 0 DIAELO c1ccc2c(c1)[nH]c1c2CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000040632092 183111773 /nfs/dbraw/zinc/11/17/73/183111773.db2.gz PVBKXYNBDRQYAR-UHFFFAOYSA-N 1 2 313.404 4.274 10 0 DIAELO Nc1c(Nc2ccccc2Cl)nc[nH+]c1NC1CCCCC1 ZINC000040708571 183121282 /nfs/dbraw/zinc/12/12/82/183121282.db2.gz KIMHGXYQUNGRFG-UHFFFAOYSA-N 1 2 317.824 4.200 10 0 DIAELO CC(C)(C)Nc1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040680543 183117085 /nfs/dbraw/zinc/11/70/85/183117085.db2.gz OWDQJYBGVALWSE-UHFFFAOYSA-N 1 2 307.401 4.166 10 0 DIAELO CC(C)(C)Nc1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040680543 183117086 /nfs/dbraw/zinc/11/70/86/183117086.db2.gz OWDQJYBGVALWSE-UHFFFAOYSA-N 1 2 307.401 4.166 10 0 DIAELO Cc1ccc(Cl)cc1Nc1[nH+]cnc(NCCC(C)C)c1N ZINC000040705040 183120676 /nfs/dbraw/zinc/12/06/76/183120676.db2.gz FZWLUQNFOMQWDY-UHFFFAOYSA-N 1 2 319.840 4.222 10 0 DIAELO Cc1ccc(Cl)cc1Nc1nc[nH+]c(NCCC(C)C)c1N ZINC000040705040 183120677 /nfs/dbraw/zinc/12/06/77/183120677.db2.gz FZWLUQNFOMQWDY-UHFFFAOYSA-N 1 2 319.840 4.222 10 0 DIAELO CC(C)c1[nH+]c2ccccc2n1CCCOc1ccccc1N ZINC000041582658 183207128 /nfs/dbraw/zinc/20/71/28/183207128.db2.gz GHHHPHMIEMEQIA-UHFFFAOYSA-N 1 2 309.413 4.211 10 0 DIAELO CCNc1cc(COc2ccc(Br)cc2C)cc[nH+]1 ZINC000063062398 184268846 /nfs/dbraw/zinc/26/88/46/184268846.db2.gz CUBIWFXWWTWYMX-UHFFFAOYSA-N 1 2 321.218 4.163 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1ccc(C(C)(C)C)cc1 ZINC000176824053 332956952 /nfs/dbraw/zinc/95/69/52/332956952.db2.gz SXSVODLIJXVCGQ-QFIPXVFZSA-N 1 2 318.486 4.210 10 0 DIAELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000050601855 334720924 /nfs/dbraw/zinc/72/09/24/334720924.db2.gz QSZPOHRLYZTMQU-JTQLQIEISA-N 1 2 319.817 4.302 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)s1 ZINC000301275937 336298192 /nfs/dbraw/zinc/29/81/92/336298192.db2.gz WNOQGHXIWBQFBK-TZMCWYRMSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)s1 ZINC000301275937 336298193 /nfs/dbraw/zinc/29/81/93/336298193.db2.gz WNOQGHXIWBQFBK-TZMCWYRMSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1cc(N[C@H](C)c2ccc(C)c(F)c2)nc(-c2cccnc2)[nH+]1 ZINC000301601283 336317538 /nfs/dbraw/zinc/31/75/38/336317538.db2.gz JDVKTYLGOINCEM-CQSZACIVSA-N 1 2 322.387 4.468 10 0 DIAELO Cc1nc(NCc2cccc(NC(C)C)c2)c2c([nH+]1)CCCC2 ZINC000302103932 336348655 /nfs/dbraw/zinc/34/86/55/336348655.db2.gz RAYBEFAQTPUBDO-UHFFFAOYSA-N 1 2 310.445 4.096 10 0 DIAELO Cc1cccc2[nH+]c(CNc3ccnc4c(F)cc(F)cc34)cn21 ZINC000302555387 336361522 /nfs/dbraw/zinc/36/15/22/336361522.db2.gz XYKJEWXGOMFGJH-UHFFFAOYSA-N 1 2 324.334 4.081 10 0 DIAELO CO[C@H](C)c1nc(C[N@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000175075140 337144304 /nfs/dbraw/zinc/14/43/04/337144304.db2.gz PFKUAXHOAQNTAS-CQSZACIVSA-N 1 2 314.454 4.140 10 0 DIAELO CO[C@H](C)c1nc(C[N@@H+]2CC=C(c3ccccc3)CC2)cs1 ZINC000175075140 337144305 /nfs/dbraw/zinc/14/43/05/337144305.db2.gz PFKUAXHOAQNTAS-CQSZACIVSA-N 1 2 314.454 4.140 10 0 DIAELO CO[C@H](C)c1nc(C[N@H+]2CC=C(c3cccs3)CC2)cs1 ZINC000175245146 337146562 /nfs/dbraw/zinc/14/65/62/337146562.db2.gz MMRUGUYIXVLCOS-GFCCVEGCSA-N 1 2 320.483 4.201 10 0 DIAELO CO[C@H](C)c1nc(C[N@@H+]2CC=C(c3cccs3)CC2)cs1 ZINC000175245146 337146563 /nfs/dbraw/zinc/14/65/63/337146563.db2.gz MMRUGUYIXVLCOS-GFCCVEGCSA-N 1 2 320.483 4.201 10 0 DIAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1F ZINC000180414668 337174295 /nfs/dbraw/zinc/17/42/95/337174295.db2.gz UUQOTXQLSYNGRV-ZWKOTPCHSA-N 1 2 324.403 4.083 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3F)o2)o1 ZINC000182573731 337188953 /nfs/dbraw/zinc/18/89/53/337188953.db2.gz DJTGTSWNAPOIPQ-LBPRGKRZSA-N 1 2 300.333 4.233 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3Cl)o2)o1 ZINC000183074019 337191354 /nfs/dbraw/zinc/19/13/54/337191354.db2.gz PXZSTCATAMDBLA-NSHDSACASA-N 1 2 317.776 4.142 10 0 DIAELO CCC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccn1 ZINC000186059806 337253193 /nfs/dbraw/zinc/25/31/93/337253193.db2.gz YRKJCRKUTGJHPF-SFHVURJKSA-N 1 2 318.424 4.170 10 0 DIAELO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186947131 337260668 /nfs/dbraw/zinc/26/06/68/337260668.db2.gz RLXYXHWSWRHAPV-XHDPSFHLSA-N 1 2 307.800 4.111 10 0 DIAELO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186947131 337260669 /nfs/dbraw/zinc/26/06/69/337260669.db2.gz RLXYXHWSWRHAPV-XHDPSFHLSA-N 1 2 307.800 4.111 10 0 DIAELO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000187110223 337262625 /nfs/dbraw/zinc/26/26/25/337262625.db2.gz IWFIPCGBTPLBAM-KGLIPLIRSA-N 1 2 323.396 4.157 10 0 DIAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1ccc(Cl)cc1 ZINC000112537284 337390512 /nfs/dbraw/zinc/39/05/12/337390512.db2.gz PJHLXJMAMWKSRX-JTQLQIEISA-N 1 2 319.817 4.302 10 0 DIAELO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccco3)co2)c1 ZINC000116295058 337392504 /nfs/dbraw/zinc/39/25/04/337392504.db2.gz WYYYOOQDJSBAGB-INIZCTEOSA-N 1 2 312.344 4.411 10 0 DIAELO Fc1cccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccco3)co2)c1 ZINC000116295058 337392505 /nfs/dbraw/zinc/39/25/05/337392505.db2.gz WYYYOOQDJSBAGB-INIZCTEOSA-N 1 2 312.344 4.411 10 0 DIAELO CCn1cc[nH+]c1CS[C@@H](C)c1nc(-c2cccs2)no1 ZINC000083632767 337995850 /nfs/dbraw/zinc/99/58/50/337995850.db2.gz HRJIWVMDBUEIJA-JTQLQIEISA-N 1 2 320.443 4.009 10 0 DIAELO C[C@H](NC(=O)CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938930 340378286 /nfs/dbraw/zinc/37/82/86/340378286.db2.gz GAVXVLWPFQMJPW-HNNXBMFYSA-N 1 2 311.429 4.020 10 0 DIAELO Cc1cnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3Br)o1 ZINC000220934814 340520064 /nfs/dbraw/zinc/52/00/64/340520064.db2.gz XKAIHEIODAGSAW-YGRLFVJLSA-N 1 2 321.218 4.084 10 0 DIAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2noc(C(C)C)n2)cc1 ZINC000181404092 519763861 /nfs/dbraw/zinc/76/38/61/519763861.db2.gz LKMCKHRMDNPKDY-AWEZNQCLSA-N 1 2 317.433 4.079 10 0 DIAELO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)c1nc(C2CC2)no1 ZINC000180856603 519799579 /nfs/dbraw/zinc/79/95/79/519799579.db2.gz JFBFQZRSBYEVCZ-QMTHXVAHSA-N 1 2 320.824 4.043 10 0 DIAELO CC(C)[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1nc(C2CC2)no1 ZINC000180858424 519821554 /nfs/dbraw/zinc/82/15/54/519821554.db2.gz CPPMOBVFXUEVPD-HOTGVXAUSA-N 1 2 315.392 4.060 10 0 DIAELO CCCCc1nc(C[NH2+][C@H](C)c2ccc3ccccc3c2)no1 ZINC000181500521 521304136 /nfs/dbraw/zinc/30/41/36/521304136.db2.gz NLLHPSFQCMRCRS-CQSZACIVSA-N 1 2 309.413 4.416 10 0 DIAELO CCCn1nc(C)c(C[N@@H+]2CCCC[C@H]2c2nccs2)c1C ZINC000127626650 521668074 /nfs/dbraw/zinc/66/80/74/521668074.db2.gz VUWDEWJQVCBGBZ-INIZCTEOSA-N 1 2 318.490 4.094 10 0 DIAELO CCCn1nc(C)c(C[N@H+]2CCCC[C@H]2c2nccs2)c1C ZINC000127626650 521668076 /nfs/dbraw/zinc/66/80/76/521668076.db2.gz VUWDEWJQVCBGBZ-INIZCTEOSA-N 1 2 318.490 4.094 10 0 DIAELO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000114745495 522915942 /nfs/dbraw/zinc/91/59/42/522915942.db2.gz SXJAWKVUTFIJSJ-KGLIPLIRSA-N 1 2 301.434 4.242 10 0 DIAELO CO[C@H](C)c1nc(COc2cc(C)[nH+]c3ccccc32)cs1 ZINC000192193711 523916728 /nfs/dbraw/zinc/91/67/28/523916728.db2.gz LOOWTKPNWSJUSK-GFCCVEGCSA-N 1 2 314.410 4.286 10 0 DIAELO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc(-c2ccccc2)cc1 ZINC000181424201 525486678 /nfs/dbraw/zinc/48/66/78/525486678.db2.gz QKGRNJZRHXGQNO-AWEZNQCLSA-N 1 2 319.408 4.465 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C(F)F)o1 ZINC000182572760 525737863 /nfs/dbraw/zinc/73/78/63/525737863.db2.gz RKLQUSMWKCUXNI-LLVKDONJSA-N 1 2 305.328 4.184 10 0 DIAELO c1csc([C@H]2CCCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000124289766 526587603 /nfs/dbraw/zinc/58/76/03/526587603.db2.gz XHUDYQVWHFHDNQ-QGZVFWFLSA-N 1 2 309.438 4.419 10 0 DIAELO c1csc([C@H]2CCCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000124289766 526587608 /nfs/dbraw/zinc/58/76/08/526587608.db2.gz XHUDYQVWHFHDNQ-QGZVFWFLSA-N 1 2 309.438 4.419 10 0 DIAELO Cc1nc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)oc1C ZINC000181405821 526892878 /nfs/dbraw/zinc/89/28/78/526892878.db2.gz VMIMSPGMOCNVTQ-CQSZACIVSA-N 1 2 302.418 4.177 10 0 DIAELO Cc1nc([C@H](C)[NH2+]Cc2cscc2Br)cs1 ZINC000336781551 527063961 /nfs/dbraw/zinc/06/39/61/527063961.db2.gz UXQUYAYASIBBPL-ZETCQYMHSA-N 1 2 317.277 4.126 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000162466231 1042127387 /nfs/dbraw/zinc/12/73/87/1042127387.db2.gz CNHAOTSQWOIORY-KXBFYZLASA-N 1 2 320.440 4.170 10 0 DIAELO CCc1ccc([C@@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162483767 1042127632 /nfs/dbraw/zinc/12/76/32/1042127632.db2.gz HSBIQHPJHAFGRW-KUHUBIRLSA-N 1 2 320.440 4.116 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cccc(C)c2C)c2ccccc2)[nH]1 ZINC000162494309 1042127676 /nfs/dbraw/zinc/12/76/76/1042127676.db2.gz WKZOVHZQNXWHAW-KXBFYZLASA-N 1 2 320.440 4.170 10 0 DIAELO c1csc([C@@H]([NH2+][C@@H]2CCCc3sccc32)c2ncc[nH]2)c1 ZINC000195119453 1046589974 /nfs/dbraw/zinc/58/99/74/1046589974.db2.gz NSWFSUSHLZCLID-IUODEOHRSA-N 1 2 315.467 4.289 10 0 DIAELO O[C@@H](C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccccc1Cl ZINC000249808667 1046863334 /nfs/dbraw/zinc/86/33/34/1046863334.db2.gz CANZOUKEORAZIG-GJZGRUSLSA-N 1 2 322.861 4.057 10 0 DIAELO O[C@@H](C[N@H+]1CCCC[C@H]1c1nccs1)c1ccccc1Cl ZINC000249808667 1046863352 /nfs/dbraw/zinc/86/33/52/1046863352.db2.gz CANZOUKEORAZIG-GJZGRUSLSA-N 1 2 322.861 4.057 10 0 DIAELO Cc1cc2nc(CCc3[nH]c4cc(C)c(C)cc4[nH+]3)[nH]c2cc1C ZINC000090376948 185293307 /nfs/dbraw/zinc/29/33/07/185293307.db2.gz CXCRHKFWUARMIU-UHFFFAOYSA-N 1 2 318.424 4.458 10 0 DIAELO COc1ccc([C@H](C)Nc2c[nH+]ccc2C)cc1Br ZINC000071413750 190968401 /nfs/dbraw/zinc/96/84/01/190968401.db2.gz DIFDPJSMJBEDEQ-NSHDSACASA-N 1 2 321.218 4.334 10 0 DIAELO Nc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2cc[nH+]c2)cc1 ZINC000005939291 181298328 /nfs/dbraw/zinc/29/83/28/181298328.db2.gz WHBXFKZDJXQRSD-HXUWFJFHSA-N 1 2 314.392 4.098 10 0 DIAELO Cc1c[nH]c(CN2CCc3c4ccccc4[nH]c3[C@H]2CC(C)C)[nH+]1 ZINC000015961691 182026513 /nfs/dbraw/zinc/02/65/13/182026513.db2.gz MJHDDCHKZNMPOF-GOSISDBHSA-N 1 2 322.456 4.345 10 0 DIAELO COc1c(C)c[nH+]c(COc2cccc(Br)c2)c1C ZINC000019844441 182156548 /nfs/dbraw/zinc/15/65/48/182156548.db2.gz FTRNWCCPTVOZEB-UHFFFAOYSA-N 1 2 322.202 4.049 10 0 DIAELO COC(=O)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000039633042 183021763 /nfs/dbraw/zinc/02/17/63/183021763.db2.gz WHPKTPOZSKRBHT-UHFFFAOYSA-N 1 2 312.756 4.418 10 0 DIAELO CCc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040295566 183052494 /nfs/dbraw/zinc/05/24/94/183052494.db2.gz CLKWWZXLKTXKAL-UHFFFAOYSA-N 1 2 321.424 4.163 10 0 DIAELO CCc1ccccc1NC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295540 183053048 /nfs/dbraw/zinc/05/30/48/183053048.db2.gz NXPDNCWXCNRLBM-UHFFFAOYSA-N 1 2 321.424 4.163 10 0 DIAELO CCCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCCOC ZINC000040402594 183061734 /nfs/dbraw/zinc/06/17/34/183061734.db2.gz OFALIPGGAQMVFJ-UHFFFAOYSA-N 1 2 300.324 4.044 10 0 DIAELO CCCNc1[nH+]cnc(N(CC)c2cccc3ccccc32)c1N ZINC000040701919 183119976 /nfs/dbraw/zinc/11/99/76/183119976.db2.gz JASDOQQWIQYEFN-UHFFFAOYSA-N 1 2 321.428 4.192 10 0 DIAELO CC(C)c1ccc(Nc2[nH+]cnc(NC3CCCC3)c2N)cc1 ZINC000040706315 183120926 /nfs/dbraw/zinc/12/09/26/183120926.db2.gz VIFCPPAXGJJZFW-UHFFFAOYSA-N 1 2 311.433 4.280 10 0 DIAELO CCn1cc[nH+]c1CSCc1csc(CCC(C)C)n1 ZINC000175294336 332883760 /nfs/dbraw/zinc/88/37/60/332883760.db2.gz DCXDXGAUUMONJI-UHFFFAOYSA-N 1 2 309.504 4.382 10 0 DIAELO Cc1cc(N[C@@H](C)c2ccc(C)c(F)c2)nc(-c2cccnc2)[nH+]1 ZINC000301601282 336317562 /nfs/dbraw/zinc/31/75/62/336317562.db2.gz JDVKTYLGOINCEM-AWEZNQCLSA-N 1 2 322.387 4.468 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1cccc2ccccc21 ZINC000177113499 337154293 /nfs/dbraw/zinc/15/42/93/337154293.db2.gz VXRAPEIIQDOEQD-QFIPXVFZSA-N 1 2 312.438 4.066 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3cccc(F)c3)o2)o1 ZINC000182570726 337188944 /nfs/dbraw/zinc/18/89/44/337188944.db2.gz KMBYHTWZBOCITM-GFCCVEGCSA-N 1 2 300.333 4.233 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3F)o2)o1 ZINC000182573714 337189038 /nfs/dbraw/zinc/18/90/38/337189038.db2.gz DJTGTSWNAPOIPQ-GFCCVEGCSA-N 1 2 300.333 4.233 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3c(F)cccc3F)n2)o1 ZINC000182582162 337189042 /nfs/dbraw/zinc/18/90/42/337189042.db2.gz KZUDEYNMXHNCBD-LLVKDONJSA-N 1 2 318.323 4.372 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1F ZINC000185826485 337250616 /nfs/dbraw/zinc/25/06/16/337250616.db2.gz ADHQXQMHBBPDNS-AWEZNQCLSA-N 1 2 307.372 4.134 10 0 DIAELO Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1C ZINC000185871573 337252174 /nfs/dbraw/zinc/25/21/74/337252174.db2.gz XOEXLXMMMGSSBE-UHFFFAOYSA-N 1 2 303.409 4.050 10 0 DIAELO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186065239 337253318 /nfs/dbraw/zinc/25/33/18/337253318.db2.gz HHNVGCQXNXDKFX-LJQANCHMSA-N 1 2 319.383 4.060 10 0 DIAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000187074465 337261615 /nfs/dbraw/zinc/26/16/15/337261615.db2.gz RHWVQOSSVWNHQK-TXEJJXNPSA-N 1 2 322.861 4.073 10 0 DIAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000187074465 337261616 /nfs/dbraw/zinc/26/16/16/337261616.db2.gz RHWVQOSSVWNHQK-TXEJJXNPSA-N 1 2 322.861 4.073 10 0 DIAELO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000187110205 337262669 /nfs/dbraw/zinc/26/26/69/337262669.db2.gz IWFIPCGBTPLBAM-KBPBESRZSA-N 1 2 323.396 4.157 10 0 DIAELO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(C)o3)co2)cc1 ZINC000193138932 337309876 /nfs/dbraw/zinc/30/98/76/337309876.db2.gz DJNSZQNQBMJFGQ-CYBMUJFWSA-N 1 2 312.369 4.102 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2Br)o1 ZINC000156711812 338381036 /nfs/dbraw/zinc/38/10/36/338381036.db2.gz MKAKCKJOSHKMSP-JTQLQIEISA-N 1 2 312.182 4.340 10 0 DIAELO C[C@@H](NC(=O)CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938943 340378243 /nfs/dbraw/zinc/37/82/43/340378243.db2.gz GAVXVLWPFQMJPW-OAHLLOKOSA-N 1 2 311.429 4.020 10 0 DIAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cnn(C)c1 ZINC000125880142 340813485 /nfs/dbraw/zinc/81/34/85/340813485.db2.gz QPOHAYVHMPVLEX-BDAKNGLRSA-N 1 2 316.207 4.278 10 0 DIAELO CCc1cccc(C[NH2+]C2(c3noc(C(C)C)n3)CCCC2)c1 ZINC000189474281 517854435 /nfs/dbraw/zinc/85/44/35/517854435.db2.gz STKRWELXWOJCNC-UHFFFAOYSA-N 1 2 313.445 4.315 10 0 DIAELO CC(C)[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1nc(C2CC2)no1 ZINC000180858404 519799633 /nfs/dbraw/zinc/79/96/33/519799633.db2.gz CPPMOBVFXUEVPD-HZPDHXFCSA-N 1 2 315.392 4.060 10 0 DIAELO CC(C)[C@H]([NH2+][C@H](C)c1cccc(F)c1F)c1nc(C2CC2)no1 ZINC000183297059 519821616 /nfs/dbraw/zinc/82/16/16/519821616.db2.gz CMDGQDCVEBXPSF-BMIGLBTASA-N 1 2 321.371 4.273 10 0 DIAELO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000182007691 523732743 /nfs/dbraw/zinc/73/27/43/523732743.db2.gz GSZQCOVCJFAGTC-BLLLJJGKSA-N 1 2 324.428 4.081 10 0 DIAELO CCc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1 ZINC000155885524 524026391 /nfs/dbraw/zinc/02/63/91/524026391.db2.gz MIZXKGUZIBDPON-GFCCVEGCSA-N 1 2 313.426 4.211 10 0 DIAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181736682 526044472 /nfs/dbraw/zinc/04/44/72/526044472.db2.gz ZYUJZIHNOOFPKZ-OAHLLOKOSA-N 1 2 302.418 4.259 10 0 DIAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000112515957 526396939 /nfs/dbraw/zinc/39/69/39/526396939.db2.gz JGDWQFGXNRVZMS-ZIAGYGMSSA-N 1 2 307.397 4.457 10 0 DIAELO Cc1nc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cs1 ZINC000126627536 526893152 /nfs/dbraw/zinc/89/31/52/526893152.db2.gz PLJBDSIYPOFAQA-MRXNPFEDSA-N 1 2 314.454 4.378 10 0 DIAELO Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)c2ccc(F)cc2)cs1 ZINC000189833027 527053099 /nfs/dbraw/zinc/05/30/99/527053099.db2.gz YVGHACCEXWWMOU-INIZCTEOSA-N 1 2 318.417 4.001 10 0 DIAELO Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)c2ccc(F)cc2)cs1 ZINC000189833027 527053107 /nfs/dbraw/zinc/05/31/07/527053107.db2.gz YVGHACCEXWWMOU-INIZCTEOSA-N 1 2 318.417 4.001 10 0 DIAELO C[C@@H](Nc1ccc[nH+]c1N(C)C)c1ccccc1C(F)(F)F ZINC000170624743 563908850 /nfs/dbraw/zinc/90/88/50/563908850.db2.gz JUPLDIKCYUQUGT-LLVKDONJSA-N 1 2 309.335 4.340 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000162466507 1042127133 /nfs/dbraw/zinc/12/71/33/1042127133.db2.gz CNHAOTSQWOIORY-HNAYVOBHSA-N 1 2 320.440 4.170 10 0 DIAELO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1cccs1 ZINC000162532856 1042127582 /nfs/dbraw/zinc/12/75/82/1042127582.db2.gz UUDZAMRTWVTYMU-HOCLYGCPSA-N 1 2 312.442 4.005 10 0 DIAELO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1cccs1 ZINC000162533147 1042128077 /nfs/dbraw/zinc/12/80/77/1042128077.db2.gz UUDZAMRTWVTYMU-GDBMZVCRSA-N 1 2 312.442 4.005 10 0 DIAELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000076892286 185050510 /nfs/dbraw/zinc/05/05/10/185050510.db2.gz BOANTZMLJKXMBT-GFCCVEGCSA-N 1 2 315.367 4.185 10 0 DIAELO COc1cccc(CNc2c[nH+]ccc2Oc2ccccc2)c1 ZINC000095828702 185384078 /nfs/dbraw/zinc/38/40/78/185384078.db2.gz BBLWMZBLKLHAOJ-UHFFFAOYSA-N 1 2 306.365 4.495 10 0 DIAELO COc1cc2[nH+]ccc(Oc3cc(C)c(N)cc3C)c2cc1OC ZINC000090529013 185300530 /nfs/dbraw/zinc/30/05/30/185300530.db2.gz RYOSIAALQNJYKP-UHFFFAOYSA-N 1 2 324.380 4.243 10 0 DIAELO CCCC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1ccnc2ccccc12 ZINC000072473355 191175084 /nfs/dbraw/zinc/17/50/84/191175084.db2.gz HNEGOGJYYVJCKD-LJQANCHMSA-N 1 2 320.440 4.248 10 0 DIAELO CCCC[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000072473355 191175087 /nfs/dbraw/zinc/17/50/87/191175087.db2.gz HNEGOGJYYVJCKD-LJQANCHMSA-N 1 2 320.440 4.248 10 0 DIAELO CC[C@H](C)c1ccccc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000005628019 181265267 /nfs/dbraw/zinc/26/52/67/181265267.db2.gz UWENDHSSMGMSKJ-AWEZNQCLSA-N 1 2 321.424 4.497 10 0 DIAELO Cc1cc(Nc2ccc([NH+](C)C)cc2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000019794236 182150160 /nfs/dbraw/zinc/15/01/60/182150160.db2.gz VXXNJZVZNUIFRY-UHFFFAOYSA-N 1 2 321.380 4.051 10 0 DIAELO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ncc(C(C)(C)C)o1 ZINC000192356897 335027597 /nfs/dbraw/zinc/02/75/97/335027597.db2.gz KJTKKULSKDVENH-IUODEOHRSA-N 1 2 314.429 4.406 10 0 DIAELO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ncc(C(C)(C)C)o1 ZINC000192356901 335027679 /nfs/dbraw/zinc/02/76/79/335027679.db2.gz KJTKKULSKDVENH-WFASDCNBSA-N 1 2 314.429 4.406 10 0 DIAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)Cc3ccccc3)c2c1 ZINC000040177041 183044467 /nfs/dbraw/zinc/04/44/67/183044467.db2.gz WBCODEMKMIYCBN-UHFFFAOYSA-N 1 2 304.393 4.341 10 0 DIAELO CCc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000040295942 183052531 /nfs/dbraw/zinc/05/25/31/183052531.db2.gz AXGUVUJDYKNJKR-UHFFFAOYSA-N 1 2 319.408 4.115 10 0 DIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000040295580 183052593 /nfs/dbraw/zinc/05/25/93/183052593.db2.gz MMFLQNOYVGOXDZ-UHFFFAOYSA-N 1 2 321.424 4.217 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1CC ZINC000040295726 183053122 /nfs/dbraw/zinc/05/31/22/183053122.db2.gz FDVIVAGMWYNUEH-UHFFFAOYSA-N 1 2 321.424 4.190 10 0 DIAELO Cc1cccc(C)c1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295950 183053151 /nfs/dbraw/zinc/05/31/51/183053151.db2.gz JTOQNPFPDLADGI-UHFFFAOYSA-N 1 2 319.408 4.169 10 0 DIAELO CCCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCCOCC ZINC000040403050 183061413 /nfs/dbraw/zinc/06/14/13/183061413.db2.gz DOBJPGHLJOZCHO-UHFFFAOYSA-N 1 2 314.351 4.434 10 0 DIAELO Cc1ccc(C)c(Nc2[nH+]cnc(NC3CCCCC3)c2N)c1 ZINC000040704371 183119916 /nfs/dbraw/zinc/11/99/16/183119916.db2.gz ZZWZLXYLIQGBRU-UHFFFAOYSA-N 1 2 311.433 4.164 10 0 DIAELO Cc1cccc(Nc2[nH+]cnc(NCc3ccccc3)c2N)c1C ZINC000040709251 183120598 /nfs/dbraw/zinc/12/05/98/183120598.db2.gz MCTXKKMZDGCFTM-UHFFFAOYSA-N 1 2 319.412 4.031 10 0 DIAELO c1coc(CNc2nc(NC3CCCC3)[nH+]c3ccccc32)c1 ZINC000041151407 183178655 /nfs/dbraw/zinc/17/86/55/183178655.db2.gz RRCTVPOGFNONBQ-UHFFFAOYSA-N 1 2 308.385 4.189 10 0 DIAELO Cc1ccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1C ZINC000065238804 184316979 /nfs/dbraw/zinc/31/69/79/184316979.db2.gz RNTIKVQZHPHIAV-UHFFFAOYSA-N 1 2 312.438 4.095 10 0 DIAELO Cc1ccc(NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1C ZINC000065238804 184316981 /nfs/dbraw/zinc/31/69/81/184316981.db2.gz RNTIKVQZHPHIAV-UHFFFAOYSA-N 1 2 312.438 4.095 10 0 DIAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cnccn1 ZINC000125878373 332241650 /nfs/dbraw/zinc/24/16/50/332241650.db2.gz GQMGIGYVPHLFIK-IUCAKERBSA-N 1 2 314.191 4.334 10 0 DIAELO CCn1cc[nH+]c1CNc1ccc(C(F)(F)F)cc1Cl ZINC000051922399 332674774 /nfs/dbraw/zinc/67/47/74/332674774.db2.gz GJUFOGBZRDLQES-UHFFFAOYSA-N 1 2 303.715 4.187 10 0 DIAELO CC(C)c1noc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000178452090 333138924 /nfs/dbraw/zinc/13/89/24/333138924.db2.gz JBODCKLOOPUTEN-CYBMUJFWSA-N 1 2 301.434 4.341 10 0 DIAELO Cc1ccc(N[C@@H]2CCc3sc(Br)cc32)c[nH+]1 ZINC000310084996 333217577 /nfs/dbraw/zinc/21/75/77/333217577.db2.gz GFBLSEHZGFNFIH-LLVKDONJSA-N 1 2 309.232 4.313 10 0 DIAELO CC1(C)C[C@H]([NH2+]Cc2ncc(Cl)s2)c2ccccc2O1 ZINC000349569572 335681414 /nfs/dbraw/zinc/68/14/14/335681414.db2.gz PNIFBIZIRPTYMF-NSHDSACASA-N 1 2 308.834 4.189 10 0 DIAELO c1coc([C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000192791142 336261952 /nfs/dbraw/zinc/26/19/52/336261952.db2.gz NYRNLAYCWMXZNC-XLIONFOSSA-N 1 2 305.377 4.482 10 0 DIAELO Cc1cc(N[C@H](C)c2c(Cl)ccc(F)c2Cl)nc[nH+]1 ZINC000301232122 336295942 /nfs/dbraw/zinc/29/59/42/336295942.db2.gz IECNKIFYNWIEKE-MRVPVSSYSA-N 1 2 300.164 4.404 10 0 DIAELO CCc1csc([C@H]2CCCN(c3cc[nH+]c(C(C)C)n3)C2)n1 ZINC000301277354 336298231 /nfs/dbraw/zinc/29/82/31/336298231.db2.gz WUHCHIMTRGOQHE-ZDUSSCGKSA-N 1 2 316.474 4.003 10 0 DIAELO Cc1cc(NC[C@@H]2CCO[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301429755 336306296 /nfs/dbraw/zinc/30/62/96/336306296.db2.gz PZOLRFUYDGBLNW-FUHWJXTLSA-N 1 2 311.429 4.098 10 0 DIAELO CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000120466808 336912405 /nfs/dbraw/zinc/91/24/05/336912405.db2.gz OHMMRFVAZYEJSL-INIZCTEOSA-N 1 2 313.401 4.305 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000177112730 337154319 /nfs/dbraw/zinc/15/43/19/337154319.db2.gz XVKVMJHIVBJNNU-YUNKPMOVSA-N 1 2 310.850 4.127 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)cc1F ZINC000181346078 337181641 /nfs/dbraw/zinc/18/16/41/337181641.db2.gz NCBZLWQEKIEQDS-NSHDSACASA-N 1 2 317.389 4.096 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2noc(-c3ccsc3)n2)cc1F ZINC000181371883 337181737 /nfs/dbraw/zinc/18/17/37/337181737.db2.gz DZAIWJDTNOTQGW-NSHDSACASA-N 1 2 317.389 4.096 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 ZINC000182175654 337187169 /nfs/dbraw/zinc/18/71/69/337187169.db2.gz HQWLQAQCZGBCAJ-LBPRGKRZSA-N 1 2 313.788 4.241 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000185823781 337250490 /nfs/dbraw/zinc/25/04/90/337250490.db2.gz WEDVWAZEMBSYOC-CQSZACIVSA-N 1 2 307.372 4.134 10 0 DIAELO Clc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000185869846 337252249 /nfs/dbraw/zinc/25/22/49/337252249.db2.gz AASVRHPOBSQQJB-UHFFFAOYSA-N 1 2 315.829 4.148 10 0 DIAELO COc1cccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000186047110 337253021 /nfs/dbraw/zinc/25/30/21/337253021.db2.gz DNZKDVCHIWOUKH-OAHLLOKOSA-N 1 2 319.408 4.003 10 0 DIAELO COc1ccccc1[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186061011 337253295 /nfs/dbraw/zinc/25/32/95/337253295.db2.gz HXTWOAVUNNCUNX-HNNXBMFYSA-N 1 2 319.408 4.003 10 0 DIAELO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ncc(C(C)C)s1 ZINC000188948900 337276863 /nfs/dbraw/zinc/27/68/63/337276863.db2.gz KEQFYFQOORRURY-AWEZNQCLSA-N 1 2 302.443 4.188 10 0 DIAELO COc1cc2c(cc1OCc1ccccc1)C[C@@H](C(C)C)[NH+]=C2 ZINC000584606474 337371693 /nfs/dbraw/zinc/37/16/93/337371693.db2.gz WEDJTEVFBVXBBI-SFHVURJKSA-N 1 2 309.409 4.274 10 0 DIAELO CCn1cc[nH+]c1CNc1ccccc1COc1ccccc1 ZINC000124188453 337404091 /nfs/dbraw/zinc/40/40/91/337404091.db2.gz WLMNFDTXZKCGBD-UHFFFAOYSA-N 1 2 307.397 4.094 10 0 DIAELO c1csc([C@@H]([NH2+][C@H]2CCCc3sccc32)c2ncc[nH]2)c1 ZINC000195119476 337465466 /nfs/dbraw/zinc/46/54/66/337465466.db2.gz NSWFSUSHLZCLID-SWLSCSKDSA-N 1 2 315.467 4.289 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2Br)o1 ZINC000156711684 338380808 /nfs/dbraw/zinc/38/08/08/338380808.db2.gz MKAKCKJOSHKMSP-SNVBAGLBSA-N 1 2 312.182 4.340 10 0 DIAELO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000066391529 340845921 /nfs/dbraw/zinc/84/59/21/340845921.db2.gz AKBYQJZZCZUKNM-ZJUUUORDSA-N 1 2 311.788 4.397 10 0 DIAELO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128292925 340866452 /nfs/dbraw/zinc/86/64/52/340866452.db2.gz MCTIPKGOMGJPKY-RTBURBONSA-N 1 2 321.399 4.305 10 0 DIAELO c1csc(-c2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)s2)c1 ZINC000245546931 341301016 /nfs/dbraw/zinc/30/10/16/341301016.db2.gz WAOYDTZVODSLIL-ZIAGYGMSSA-N 1 2 320.483 4.015 10 0 DIAELO c1csc(-c2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)s2)c1 ZINC000245546931 341301017 /nfs/dbraw/zinc/30/10/17/341301017.db2.gz WAOYDTZVODSLIL-ZIAGYGMSSA-N 1 2 320.483 4.015 10 0 DIAELO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000174566016 341828826 /nfs/dbraw/zinc/82/88/26/341828826.db2.gz QBLCQVACZSQDQX-ZDUSSCGKSA-N 1 2 310.372 4.233 10 0 DIAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)o2)cc1 ZINC000181395386 519763624 /nfs/dbraw/zinc/76/36/24/519763624.db2.gz VGHBWIDWGQRMCI-CQSZACIVSA-N 1 2 317.433 4.079 10 0 DIAELO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1nc(C2CC2)no1 ZINC000180856565 519821478 /nfs/dbraw/zinc/82/14/78/519821478.db2.gz JFBFQZRSBYEVCZ-HZMBPMFUSA-N 1 2 320.824 4.043 10 0 DIAELO CC(C)n1ccnc1C[NH2+][C@H](C)c1ccccc1Br ZINC000181570170 520031104 /nfs/dbraw/zinc/03/11/04/520031104.db2.gz LWZGCZAJPMLDKM-GFCCVEGCSA-N 1 2 322.250 4.077 10 0 DIAELO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000131487974 522908573 /nfs/dbraw/zinc/90/85/73/522908573.db2.gz UCFACNVBQRQGCO-UONOGXRCSA-N 1 2 317.433 4.079 10 0 DIAELO CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000182007726 523731109 /nfs/dbraw/zinc/73/11/09/523731109.db2.gz GSZQCOVCJFAGTC-LRDDRELGSA-N 1 2 324.428 4.081 10 0 DIAELO Cc1ccc(F)cc1C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000180159894 524853108 /nfs/dbraw/zinc/85/31/08/524853108.db2.gz GRJUJWKTVUTYCB-UHFFFAOYSA-N 1 2 317.408 4.200 10 0 DIAELO c1nc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cs1 ZINC000131319747 526598308 /nfs/dbraw/zinc/59/83/08/526598308.db2.gz NTGAMBXDAFPZCT-HNNXBMFYSA-N 1 2 300.427 4.069 10 0 DIAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)oc1C ZINC000181405802 526891445 /nfs/dbraw/zinc/89/14/45/526891445.db2.gz VMIMSPGMOCNVTQ-AWEZNQCLSA-N 1 2 302.418 4.177 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@H](C)c2cccc(C)c2C)c2ccccc2)[nH]1 ZINC000162494432 1042127160 /nfs/dbraw/zinc/12/71/60/1042127160.db2.gz WKZOVHZQNXWHAW-DNVCBOLYSA-N 1 2 320.440 4.170 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000162466364 1042127869 /nfs/dbraw/zinc/12/78/69/1042127869.db2.gz CNHAOTSQWOIORY-DNVCBOLYSA-N 1 2 320.440 4.170 10 0 DIAELO O[C@H](C[N@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1Cl ZINC000195360014 1046592545 /nfs/dbraw/zinc/59/25/45/1046592545.db2.gz CANZOUKEORAZIG-HUUCEWRRSA-N 1 2 322.861 4.057 10 0 DIAELO O[C@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1Cl ZINC000195360014 1046592537 /nfs/dbraw/zinc/59/25/37/1046592537.db2.gz CANZOUKEORAZIG-HUUCEWRRSA-N 1 2 322.861 4.057 10 0 DIAELO CCC[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccn1 ZINC000090401148 1047503993 /nfs/dbraw/zinc/50/39/93/1047503993.db2.gz NUCDFOSKWDEREK-HNNXBMFYSA-N 1 2 324.453 4.231 10 0 DIAELO COc1ccc(CNc2c[nH+]ccc2Oc2ccccc2)cc1 ZINC000095828699 185384138 /nfs/dbraw/zinc/38/41/38/185384138.db2.gz OGQHEXHOWTUPBW-UHFFFAOYSA-N 1 2 306.365 4.495 10 0 DIAELO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000090048369 185279687 /nfs/dbraw/zinc/27/96/87/185279687.db2.gz CUQUXSPSZICUHO-TZMCWYRMSA-N 1 2 302.443 4.441 10 0 DIAELO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000090048370 185279744 /nfs/dbraw/zinc/27/97/44/185279744.db2.gz CUQUXSPSZICUHO-GXTWGEPZSA-N 1 2 302.443 4.441 10 0 DIAELO CC(C)CC(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863631 182022557 /nfs/dbraw/zinc/02/25/57/182022557.db2.gz UUDRBUZURSSILZ-UHFFFAOYSA-N 1 2 321.424 4.333 10 0 DIAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)c1ccc(Cl)cc1 ZINC000040231739 183048615 /nfs/dbraw/zinc/04/86/15/183048615.db2.gz LAMPVDZHYUTTOY-UHFFFAOYSA-N 1 2 310.784 4.450 10 0 DIAELO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)Nc1cccc(C)c1C ZINC000040295570 183053030 /nfs/dbraw/zinc/05/30/30/183053030.db2.gz JPAVEPOJWOLQOB-UHFFFAOYSA-N 1 2 321.424 4.217 10 0 DIAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCC3)c2N)cc1Cl ZINC000040703869 183119730 /nfs/dbraw/zinc/11/97/30/183119730.db2.gz OATYHQKGHSZKGG-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO Cc1ccc(Nc2nc[nH+]c(NC3CCCC3)c2N)cc1Cl ZINC000040703869 183119733 /nfs/dbraw/zinc/11/97/33/183119733.db2.gz OATYHQKGHSZKGG-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO Cc1cc(Cl)ccc1Nc1[nH+]cnc(NCCC(C)C)c1N ZINC000040703412 183120229 /nfs/dbraw/zinc/12/02/29/183120229.db2.gz QALWQDHRFMAWJP-UHFFFAOYSA-N 1 2 319.840 4.222 10 0 DIAELO Cc1cc(Cl)ccc1Nc1nc[nH+]c(NCCC(C)C)c1N ZINC000040703412 183120231 /nfs/dbraw/zinc/12/02/31/183120231.db2.gz QALWQDHRFMAWJP-UHFFFAOYSA-N 1 2 319.840 4.222 10 0 DIAELO Cc1ccc(CNc2nc[nH+]c(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782036 183133130 /nfs/dbraw/zinc/13/31/30/183133130.db2.gz FBIDKAXBVURVPO-UHFFFAOYSA-N 1 2 319.412 4.031 10 0 DIAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1ccc(F)cc1 ZINC000040782522 183133902 /nfs/dbraw/zinc/13/39/02/183133902.db2.gz BDTWWQYBQYRPSX-UHFFFAOYSA-N 1 2 315.396 4.076 10 0 DIAELO Oc1ccc(CNc2ccc([NH+]3CCCC3)cc2)cc1Cl ZINC000043479436 183365918 /nfs/dbraw/zinc/36/59/18/183365918.db2.gz IJONVHJVPNNZAP-UHFFFAOYSA-N 1 2 302.805 4.258 10 0 DIAELO CCc1ccccc1NC(=O)c1cc2c(s1)C[N@@H+](C(C)C)C2 ZINC000065238694 184317232 /nfs/dbraw/zinc/31/72/32/184317232.db2.gz KTFLCLOZMHYBFR-UHFFFAOYSA-N 1 2 314.454 4.287 10 0 DIAELO CCc1ccccc1NC(=O)c1cc2c(s1)C[N@H+](C(C)C)C2 ZINC000065238694 184317233 /nfs/dbraw/zinc/31/72/33/184317233.db2.gz KTFLCLOZMHYBFR-UHFFFAOYSA-N 1 2 314.454 4.287 10 0 DIAELO Cc1ccccc1-c1ncc(C[N@@H+](C)[C@@H](C)c2ccon2)s1 ZINC000065529086 184360095 /nfs/dbraw/zinc/36/00/95/184360095.db2.gz GSMOHDKTACANBO-ZDUSSCGKSA-N 1 2 313.426 4.300 10 0 DIAELO Cc1ccccc1-c1ncc(C[N@H+](C)[C@@H](C)c2ccon2)s1 ZINC000065529086 184360097 /nfs/dbraw/zinc/36/00/97/184360097.db2.gz GSMOHDKTACANBO-ZDUSSCGKSA-N 1 2 313.426 4.300 10 0 DIAELO Brc1ccc([C@H]2c3ccccc3-c3[nH+]ccn32)cc1 ZINC000066054621 184385509 /nfs/dbraw/zinc/38/55/09/184385509.db2.gz GWSMIHYYGRKZFD-HNNXBMFYSA-N 1 2 311.182 4.264 10 0 DIAELO Brc1ccc([C@@H]2c3ccccc3-c3[nH+]ccn32)cc1 ZINC000066054620 184385571 /nfs/dbraw/zinc/38/55/71/184385571.db2.gz GWSMIHYYGRKZFD-OAHLLOKOSA-N 1 2 311.182 4.264 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2cscc2Br)o1 ZINC000285534416 131178407 /nfs/dbraw/zinc/17/84/07/131178407.db2.gz SOBQIKKRJYXUAR-VIFPVBQESA-N 1 2 300.221 4.263 10 0 DIAELO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(F)c(Cl)c1 ZINC000180736864 333164601 /nfs/dbraw/zinc/16/46/01/333164601.db2.gz GLPXHKLIRPBQMM-VIFPVBQESA-N 1 2 311.788 4.010 10 0 DIAELO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(F)c(Cl)c1 ZINC000180736880 333164760 /nfs/dbraw/zinc/16/47/60/333164760.db2.gz GLPXHKLIRPBQMM-SECBINFHSA-N 1 2 311.788 4.010 10 0 DIAELO CCCCc1nc(Cl)c(C[NH2+][C@H](C)c2ncc(C)s2)[nH]1 ZINC000123965954 333480895 /nfs/dbraw/zinc/48/08/95/333480895.db2.gz WYCJXKASIMMIJO-SNVBAGLBSA-N 1 2 312.870 4.021 10 0 DIAELO COCC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000163187610 334920716 /nfs/dbraw/zinc/92/07/16/334920716.db2.gz IEBMZOLJPCFCHI-HNNXBMFYSA-N 1 2 317.820 4.197 10 0 DIAELO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000103478949 336241212 /nfs/dbraw/zinc/24/12/12/336241212.db2.gz OBABCFTXZUXZJN-INIZCTEOSA-N 1 2 316.470 4.014 10 0 DIAELO CC(C)(C)c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000103478949 336241213 /nfs/dbraw/zinc/24/12/13/336241213.db2.gz OBABCFTXZUXZJN-INIZCTEOSA-N 1 2 316.470 4.014 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(N3CCC[C@H](C)C3)nc[nH+]2)s1 ZINC000301275928 336298323 /nfs/dbraw/zinc/29/83/23/336298323.db2.gz WNOQGHXIWBQFBK-GXTWGEPZSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1ccc([C@@H](C)Nc2cc(N3CCC[C@H](C)C3)[nH+]cn2)s1 ZINC000301275928 336298324 /nfs/dbraw/zinc/29/83/24/336298324.db2.gz WNOQGHXIWBQFBK-GXTWGEPZSA-N 1 2 316.474 4.256 10 0 DIAELO Cc1ccc(CCNc2ccc3c(Cl)ccnc3c2F)c[nH+]1 ZINC000301567425 336315440 /nfs/dbraw/zinc/31/54/40/336315440.db2.gz KXAFPVUJAJDXBH-UHFFFAOYSA-N 1 2 315.779 4.385 10 0 DIAELO Cc1ccc([C@@H]2CCCN2c2nc(C)[nH+]c3c2CCCC3)s1 ZINC000302048051 336345436 /nfs/dbraw/zinc/34/54/36/336345436.db2.gz LZCDAEPZLFWJPP-INIZCTEOSA-N 1 2 313.470 4.375 10 0 DIAELO C[C@H](NC(=O)CCC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948411 337137837 /nfs/dbraw/zinc/13/78/37/337137837.db2.gz HQIWQBZIBHWDTH-HNNXBMFYSA-N 1 2 311.429 4.020 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@](=O)CCC1C[C@H](C)C[C@@H](C)C1 ZINC000176986881 337153979 /nfs/dbraw/zinc/15/39/79/337153979.db2.gz JETZUNIRNMACSU-VTJXTGGHSA-N 1 2 310.507 4.175 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)o1 ZINC000182591113 337189055 /nfs/dbraw/zinc/18/90/55/337189055.db2.gz FJPPIYAQDVOVKH-LLVKDONJSA-N 1 2 318.323 4.372 10 0 DIAELO CCn1cc[nH+]c1CSCc1sc(C)nc1C(F)(F)F ZINC000184506478 337198195 /nfs/dbraw/zinc/19/81/95/337198195.db2.gz LWSVSXHLLWFCHI-UHFFFAOYSA-N 1 2 321.393 4.120 10 0 DIAELO ClC(Cl)(Cl)CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000184493773 337199112 /nfs/dbraw/zinc/19/91/12/337199112.db2.gz XCRPBGNEUVASDR-VIFPVBQESA-N 1 2 313.681 4.430 10 0 DIAELO ClC(Cl)(Cl)CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000184493773 337199113 /nfs/dbraw/zinc/19/91/13/337199113.db2.gz XCRPBGNEUVASDR-VIFPVBQESA-N 1 2 313.681 4.430 10 0 DIAELO Cc1cccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185823185 337250539 /nfs/dbraw/zinc/25/05/39/337250539.db2.gz CMLAEOBEJYSNGB-MRXNPFEDSA-N 1 2 303.409 4.303 10 0 DIAELO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(-c3ccccc3)cn1)CC2 ZINC000185825923 337250544 /nfs/dbraw/zinc/25/05/44/337250544.db2.gz WHWCXISDXORQPS-LJQANCHMSA-N 1 2 319.383 4.060 10 0 DIAELO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nccs2)c1F ZINC000192947601 337308583 /nfs/dbraw/zinc/30/85/83/337308583.db2.gz CJPZPHFUCOXRHX-ZDUSSCGKSA-N 1 2 306.406 4.018 10 0 DIAELO COc1cccc(C[N@H+]2CCCC[C@H]2c2nccs2)c1F ZINC000192947601 337308584 /nfs/dbraw/zinc/30/85/84/337308584.db2.gz CJPZPHFUCOXRHX-ZDUSSCGKSA-N 1 2 306.406 4.018 10 0 DIAELO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000121100162 337885825 /nfs/dbraw/zinc/88/58/25/337885825.db2.gz UAXRRVIHLMBBDJ-AWEZNQCLSA-N 1 2 305.381 4.426 10 0 DIAELO Cc1ccccc1NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174149889 340383068 /nfs/dbraw/zinc/38/30/68/340383068.db2.gz LMHMGIUMFYTWRS-HNNXBMFYSA-N 1 2 320.396 4.063 10 0 DIAELO CCc1cnc([C@@H](C)Nc2cc(C(F)(F)F)cc[nH+]2)s1 ZINC000134927819 341226722 /nfs/dbraw/zinc/22/67/22/341226722.db2.gz BOHLONPFYJVSHK-MRVPVSSYSA-N 1 2 301.337 4.292 10 0 DIAELO Cc1ccc([C@H](C)Nc2cc(C)[nH+]c(-c3ccncc3)n2)cc1 ZINC000140990330 341371015 /nfs/dbraw/zinc/37/10/15/341371015.db2.gz GXTIONWWPVSJRQ-HNNXBMFYSA-N 1 2 304.397 4.329 10 0 DIAELO CC(C)c1ccc([C@@H](C)[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000248439276 341377894 /nfs/dbraw/zinc/37/78/94/341377894.db2.gz CKXSAEKBNFSYOG-RHSMWYFYSA-N 1 2 316.470 4.401 10 0 DIAELO CC(C)c1ccc([C@@H](C)[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000248439276 341377895 /nfs/dbraw/zinc/37/78/95/341377895.db2.gz CKXSAEKBNFSYOG-RHSMWYFYSA-N 1 2 316.470 4.401 10 0 DIAELO CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C)o3)n2)cc1 ZINC000171234771 341774329 /nfs/dbraw/zinc/77/43/29/341774329.db2.gz PDGHTVAAERJAEW-CYBMUJFWSA-N 1 2 311.385 4.051 10 0 DIAELO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000131488551 522915211 /nfs/dbraw/zinc/91/52/11/522915211.db2.gz UCFACNVBQRQGCO-KGLIPLIRSA-N 1 2 317.433 4.079 10 0 DIAELO CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000182007706 523730944 /nfs/dbraw/zinc/73/09/44/523730944.db2.gz GSZQCOVCJFAGTC-WBMJQRKESA-N 1 2 324.428 4.081 10 0 DIAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3nc2C)cs1 ZINC000189783200 527051484 /nfs/dbraw/zinc/05/14/84/527051484.db2.gz OPMRIFMDGXBPBX-SFHVURJKSA-N 1 2 324.453 4.040 10 0 DIAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3nc2C)cs1 ZINC000189783200 527051489 /nfs/dbraw/zinc/05/14/89/527051489.db2.gz OPMRIFMDGXBPBX-SFHVURJKSA-N 1 2 324.453 4.040 10 0 DIAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cs1 ZINC000189750444 527051636 /nfs/dbraw/zinc/05/16/36/527051636.db2.gz AVQMGYWVEYMKOU-AWEZNQCLSA-N 1 2 315.467 4.398 10 0 DIAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cs1 ZINC000189750444 527051639 /nfs/dbraw/zinc/05/16/39/527051639.db2.gz AVQMGYWVEYMKOU-AWEZNQCLSA-N 1 2 315.467 4.398 10 0 DIAELO Cc1cc2[nH]c(-c3ccc(F)cc3)[nH+]c2c(Br)c1N ZINC000078400718 563512640 /nfs/dbraw/zinc/51/26/40/563512640.db2.gz LZZWTAKICDHYDF-UHFFFAOYSA-N 1 2 320.165 4.022 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)c2ccccc2)[nH]1 ZINC000162528782 1042127357 /nfs/dbraw/zinc/12/73/57/1042127357.db2.gz BEKRQWGEOCDRLW-KXBFYZLASA-N 1 2 320.440 4.170 10 0 DIAELO CCc1ccc([C@@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162484024 1042127483 /nfs/dbraw/zinc/12/74/83/1042127483.db2.gz HSBIQHPJHAFGRW-AUUYWEPGSA-N 1 2 320.440 4.116 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)c2ccccc2)[nH]1 ZINC000162528654 1042127850 /nfs/dbraw/zinc/12/78/50/1042127850.db2.gz BEKRQWGEOCDRLW-BEFAXECRSA-N 1 2 320.440 4.170 10 0 DIAELO Cc1ccc([C@@H]2CCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000408463607 1042494802 /nfs/dbraw/zinc/49/48/02/1042494802.db2.gz GKDBNCWPLQGAGD-HNNXBMFYSA-N 1 2 313.401 4.277 10 0 DIAELO CCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccccn1 ZINC000090401151 1047504120 /nfs/dbraw/zinc/50/41/20/1047504120.db2.gz NUCDFOSKWDEREK-OAHLLOKOSA-N 1 2 324.453 4.231 10 0 DIAELO Nc1ccc2[nH]c(-c3ccc(Cl)cc3)[nH+]c2c1Br ZINC000078400726 191857605 /nfs/dbraw/zinc/85/76/05/191857605.db2.gz YDZAJUQZBVOAIW-UHFFFAOYSA-N 1 2 322.593 4.228 10 0 DIAELO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1nc(C2CC2)no1 ZINC000089670904 192839955 /nfs/dbraw/zinc/83/99/55/192839955.db2.gz UMTMWTGWQTWPGR-BONVTDFDSA-N 1 2 321.371 4.273 10 0 DIAELO C[C@H](C(=O)c1ccc(Cl)cc1Cl)[NH+]1CCCCCC1 ZINC000037332635 182882500 /nfs/dbraw/zinc/88/25/00/182882500.db2.gz MLJKWSVJLMCGJZ-LLVKDONJSA-N 1 2 300.229 4.441 10 0 DIAELO COc1ccc(OCCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000040224738 183047061 /nfs/dbraw/zinc/04/70/61/183047061.db2.gz NFXVVVKOUXVMEK-UHFFFAOYSA-N 1 2 310.397 4.213 10 0 DIAELO Cc1cc(C)cc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040295670 183052871 /nfs/dbraw/zinc/05/28/71/183052871.db2.gz YPHHAEJDTCZFDS-UHFFFAOYSA-N 1 2 321.424 4.415 10 0 DIAELO CCOCCCn1c(CC)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040403038 183061478 /nfs/dbraw/zinc/06/14/78/183061478.db2.gz JZXAQTBLKGEMLB-UHFFFAOYSA-N 1 2 300.324 4.044 10 0 DIAELO Cc1cc(C)cc(Nc2[nH+]cnc(NC3CCCCC3)c2N)c1 ZINC000040681773 183117159 /nfs/dbraw/zinc/11/71/59/183117159.db2.gz OHJVQLJJUOBTCQ-UHFFFAOYSA-N 1 2 311.433 4.164 10 0 DIAELO Cc1cc(Cl)ccc1Nc1[nH+]cnc(NC2CCCC2)c1N ZINC000040703453 183119910 /nfs/dbraw/zinc/11/99/10/183119910.db2.gz MJXDGXSZQWJZMD-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO Cc1cc(Cl)ccc1Nc1nc[nH+]c(NC2CCCC2)c1N ZINC000040703453 183119913 /nfs/dbraw/zinc/11/99/13/183119913.db2.gz MJXDGXSZQWJZMD-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO CCN(c1cccc2ccccc21)c1nc[nH+]c(NC(C)C)c1N ZINC000040701920 183120031 /nfs/dbraw/zinc/12/00/31/183120031.db2.gz MBOADEOOJWVCFZ-UHFFFAOYSA-N 1 2 321.428 4.190 10 0 DIAELO Nc1c(NC2CCCCC2)nc[nH+]c1Nc1ccc(Cl)cc1 ZINC000040708585 183120889 /nfs/dbraw/zinc/12/08/89/183120889.db2.gz PFDCVRBVRAJQDV-UHFFFAOYSA-N 1 2 317.824 4.200 10 0 DIAELO Nc1c(Nc2ccc(Cl)cc2)nc[nH+]c1NC1CCCCC1 ZINC000040708585 183120892 /nfs/dbraw/zinc/12/08/92/183120892.db2.gz PFDCVRBVRAJQDV-UHFFFAOYSA-N 1 2 317.824 4.200 10 0 DIAELO CCc1[nH+]c2ccccc2n1CCCCOc1cccc(N)c1 ZINC000041582650 183207228 /nfs/dbraw/zinc/20/72/28/183207228.db2.gz ACGJFFZLTGEANZ-UHFFFAOYSA-N 1 2 309.413 4.040 10 0 DIAELO Cc1cc([NH+](C)C)ccc1NCc1cccc(Br)c1 ZINC000057667855 184045608 /nfs/dbraw/zinc/04/56/08/184045608.db2.gz ZGQAPPITUJHWLD-UHFFFAOYSA-N 1 2 319.246 4.436 10 0 DIAELO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000114748788 332328919 /nfs/dbraw/zinc/32/89/19/332328919.db2.gz ZOFMEKHEKQAAOO-OLZOCXBDSA-N 1 2 301.434 4.341 10 0 DIAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(OCc3ccccc3)c2)o1 ZINC000394419446 332420142 /nfs/dbraw/zinc/42/01/42/332420142.db2.gz MPTJDBYORLCFNT-MRXNPFEDSA-N 1 2 322.408 4.413 10 0 DIAELO CCn1cc[nH+]c1CNc1ccccc1Oc1cccc(F)c1 ZINC000177094043 332971489 /nfs/dbraw/zinc/97/14/89/332971489.db2.gz HNNOXXXKTYBUOF-UHFFFAOYSA-N 1 2 311.360 4.447 10 0 DIAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCCc2cccc(F)c2)no1 ZINC000182725451 333079106 /nfs/dbraw/zinc/07/91/06/333079106.db2.gz CSPBRZZWZPIXDD-INIZCTEOSA-N 1 2 317.408 4.102 10 0 DIAELO CC(C)c1nc([C@@H]2CCC[N@H+]2CCCc2cccc(F)c2)no1 ZINC000182725451 333079108 /nfs/dbraw/zinc/07/91/08/333079108.db2.gz CSPBRZZWZPIXDD-INIZCTEOSA-N 1 2 317.408 4.102 10 0 DIAELO C[C@@H](N[C@@H](C)c1[nH]cc[nH+]1)c1c(Cl)ccc(F)c1Cl ZINC000138952835 333706928 /nfs/dbraw/zinc/70/69/28/333706928.db2.gz BOGQQBLKGZQLGK-SFYZADRCSA-N 1 2 302.180 4.267 10 0 DIAELO Cc1cnn([C@@H]2CCCN(c3cc(C)[nH+]c4c(F)cccc34)C2)c1 ZINC000124913021 334772690 /nfs/dbraw/zinc/77/26/90/334772690.db2.gz NGFOCYGZVRNDGD-OAHLLOKOSA-N 1 2 324.403 4.029 10 0 DIAELO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000103478951 336241183 /nfs/dbraw/zinc/24/11/83/336241183.db2.gz OBABCFTXZUXZJN-MRXNPFEDSA-N 1 2 316.470 4.014 10 0 DIAELO CC(C)(C)c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000103478951 336241184 /nfs/dbraw/zinc/24/11/84/336241184.db2.gz OBABCFTXZUXZJN-MRXNPFEDSA-N 1 2 316.470 4.014 10 0 DIAELO c1ccc([C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccn2)cc1 ZINC000192793801 336262087 /nfs/dbraw/zinc/26/20/87/336262087.db2.gz IYEUXXJGMIUEJN-NQIIRXRSSA-N 1 2 316.404 4.284 10 0 DIAELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000192847226 336268845 /nfs/dbraw/zinc/26/88/45/336268845.db2.gz PKOYLLGWFWVATC-LBPRGKRZSA-N 1 2 313.788 4.241 10 0 DIAELO CC(=O)c1c(F)cccc1NCCNc1ccc2ccccc2[nH+]1 ZINC000301240745 336296389 /nfs/dbraw/zinc/29/63/89/336296389.db2.gz OCFMPEIQDUDFOJ-UHFFFAOYSA-N 1 2 323.371 4.101 10 0 DIAELO Cc1cccnc1[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC000302066663 336346622 /nfs/dbraw/zinc/34/66/22/336346622.db2.gz WJJVOQNOSSLSAX-QGZVFWFLSA-N 1 2 310.445 4.176 10 0 DIAELO COc1cc(C[N@@H+]2CCCC[C@@H]2c2nccs2)ccc1C ZINC000193841442 337079574 /nfs/dbraw/zinc/07/95/74/337079574.db2.gz JTRUMCDKEFOWNV-OAHLLOKOSA-N 1 2 302.443 4.187 10 0 DIAELO COc1cc(C[N@H+]2CCCC[C@@H]2c2nccs2)ccc1C ZINC000193841442 337079575 /nfs/dbraw/zinc/07/95/75/337079575.db2.gz JTRUMCDKEFOWNV-OAHLLOKOSA-N 1 2 302.443 4.187 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1cccnc1 ZINC000181658619 337183692 /nfs/dbraw/zinc/18/36/92/337183692.db2.gz CIJLVARJRCDRMO-GFCCVEGCSA-N 1 2 313.788 4.241 10 0 DIAELO Cc1nc([C@H]2CCC[N@@H+]2CCC(Cl)(Cl)Cl)cs1 ZINC000189804575 337283188 /nfs/dbraw/zinc/28/31/88/337283188.db2.gz ZBBMEWHYUBHDFF-SNVBAGLBSA-N 1 2 313.681 4.349 10 0 DIAELO Cc1nc([C@H]2CCC[N@H+]2CCC(Cl)(Cl)Cl)cs1 ZINC000189804575 337283189 /nfs/dbraw/zinc/28/31/89/337283189.db2.gz ZBBMEWHYUBHDFF-SNVBAGLBSA-N 1 2 313.681 4.349 10 0 DIAELO COc1ccc(Cc2[nH+]ccc3cc(C)c(OC)cc32)cc1OC ZINC000584606109 337371724 /nfs/dbraw/zinc/37/17/24/337371724.db2.gz BWQDGJRUVNLBAR-UHFFFAOYSA-N 1 2 323.392 4.160 10 0 DIAELO C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)c1cccc(Cl)c1 ZINC000112537288 337390517 /nfs/dbraw/zinc/39/05/17/337390517.db2.gz DXMBQRBUTXPAFT-JTQLQIEISA-N 1 2 319.817 4.302 10 0 DIAELO c1coc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccoc3)n2)c1 ZINC000116294746 337392465 /nfs/dbraw/zinc/39/24/65/337392465.db2.gz ODNHEUCKUXYJAX-AWEZNQCLSA-N 1 2 300.383 4.333 10 0 DIAELO c1coc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccoc3)n2)c1 ZINC000116294746 337392466 /nfs/dbraw/zinc/39/24/66/337392466.db2.gz ODNHEUCKUXYJAX-AWEZNQCLSA-N 1 2 300.383 4.333 10 0 DIAELO C[C@@H]([NH2+]Cc1ccoc1)c1csc(-c2ccccc2F)n1 ZINC000462898125 339096734 /nfs/dbraw/zinc/09/67/34/339096734.db2.gz ZJKMDJUGZUZMRY-LLVKDONJSA-N 1 2 302.374 4.393 10 0 DIAELO COc1ccc2c(c1)/C(=C/c1c[nH+]cn1Cc1ccccc1)CC2 ZINC000504810162 340152790 /nfs/dbraw/zinc/15/27/90/340152790.db2.gz LBAWHWHDUGAVDK-WOJGMQOQSA-N 1 2 316.404 4.427 10 0 DIAELO Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000174205671 340384002 /nfs/dbraw/zinc/38/40/02/340384002.db2.gz PTTUTUDWSXLJPV-HNNXBMFYSA-N 1 2 320.396 4.063 10 0 DIAELO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3Br)o1 ZINC000220934693 340520135 /nfs/dbraw/zinc/52/01/35/340520135.db2.gz XKAIHEIODAGSAW-QMTHXVAHSA-N 1 2 321.218 4.084 10 0 DIAELO CCS[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000181534647 521729432 /nfs/dbraw/zinc/72/94/32/521729432.db2.gz SQIAVKBVQWDPFQ-QWHCGFSZSA-N 1 2 305.447 4.043 10 0 DIAELO CCc1nc(C2([NH2+]Cc3cccc4ccccc43)CCCC2)no1 ZINC000174236760 522243333 /nfs/dbraw/zinc/24/33/33/522243333.db2.gz CXCJFVDLKJBAIP-UHFFFAOYSA-N 1 2 321.424 4.344 10 0 DIAELO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc2ccccc2c1 ZINC000181506504 525558625 /nfs/dbraw/zinc/55/86/25/525558625.db2.gz ZSYRAMHODJBYLS-CYBMUJFWSA-N 1 2 309.413 4.371 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3C)no2)o1 ZINC000182573909 525747624 /nfs/dbraw/zinc/74/76/24/525747624.db2.gz GKCQCQIVBZZBTP-ZIAGYGMSSA-N 1 2 311.385 4.358 10 0 DIAELO Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000159085974 526042237 /nfs/dbraw/zinc/04/22/37/526042237.db2.gz ZDEYTMUSVOQXFP-MRXNPFEDSA-N 1 2 314.454 4.252 10 0 DIAELO Cc1ccc(C(=O)CC[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000159085974 526042247 /nfs/dbraw/zinc/04/22/47/526042247.db2.gz ZDEYTMUSVOQXFP-MRXNPFEDSA-N 1 2 314.454 4.252 10 0 DIAELO c1ccc2[nH+]c(CCCOc3cccc4cccnc43)[nH]c2c1 ZINC000073636072 526500521 /nfs/dbraw/zinc/50/05/21/526500521.db2.gz BAROTDNZWASNMG-UHFFFAOYSA-N 1 2 303.365 4.123 10 0 DIAELO CCc1ccc(C[N@H+](Cc2ccsc2)Cc2cccnc2)nc1 ZINC000055089626 563470594 /nfs/dbraw/zinc/47/05/94/563470594.db2.gz BDRHFVCDKIEVKU-UHFFFAOYSA-N 1 2 323.465 4.303 10 0 DIAELO CCc1ccc(C[N@@H+](Cc2ccsc2)Cc2cccnc2)nc1 ZINC000055089626 563470599 /nfs/dbraw/zinc/47/05/99/563470599.db2.gz BDRHFVCDKIEVKU-UHFFFAOYSA-N 1 2 323.465 4.303 10 0 DIAELO c1csc([C@H]([NH2+][C@H]2CCCc3sccc32)c2ncc[nH]2)c1 ZINC000195119464 1046590964 /nfs/dbraw/zinc/59/09/64/1046590964.db2.gz NSWFSUSHLZCLID-WFASDCNBSA-N 1 2 315.467 4.289 10 0 DIAELO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cs1 ZINC000090048372 185279683 /nfs/dbraw/zinc/27/96/83/185279683.db2.gz CUQUXSPSZICUHO-JSGCOSHPSA-N 1 2 302.443 4.441 10 0 DIAELO CC(C)(C)c1csc([C@@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000092807512 185342518 /nfs/dbraw/zinc/34/25/18/185342518.db2.gz GKCCTOKJMJTLTQ-ZDUSSCGKSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1csc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000092807512 185342519 /nfs/dbraw/zinc/34/25/19/185342519.db2.gz GKCCTOKJMJTLTQ-ZDUSSCGKSA-N 1 2 322.499 4.076 10 0 DIAELO COc1ccc(-c2nc3n(c2-c2cc(C)[nH+]c(C)c2)CCC3)cc1 ZINC000150103201 186055141 /nfs/dbraw/zinc/05/51/41/186055141.db2.gz OPVNRUZKTLFULD-UHFFFAOYSA-N 1 2 319.408 4.184 10 0 DIAELO Cc1ccc(-c2cn3cc(-c4ccc(F)cc4)n(C)c3[nH+]2)cc1 ZINC000004678206 181135163 /nfs/dbraw/zinc/13/51/63/181135163.db2.gz WRCRLSYOMLFIOS-UHFFFAOYSA-N 1 2 305.356 4.454 10 0 DIAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000005238429 181220223 /nfs/dbraw/zinc/22/02/23/181220223.db2.gz NXRLHLAEVLCHGU-UHFFFAOYSA-N 1 2 307.397 4.107 10 0 DIAELO CC[NH2+]c1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000005499575 181250054 /nfs/dbraw/zinc/25/00/54/181250054.db2.gz PVHIGKNDYZNZIH-BKRJIHRRSA-N 1 2 315.457 4.041 10 0 DIAELO CCN(CC)c1nc(NCc2ccccc2)c2ccccc2[nH+]1 ZINC000041151051 183178799 /nfs/dbraw/zinc/17/87/99/183178799.db2.gz NJMQLAFJOWEQMY-UHFFFAOYSA-N 1 2 306.413 4.088 10 0 DIAELO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000114748784 332329023 /nfs/dbraw/zinc/32/90/23/332329023.db2.gz ZOFMEKHEKQAAOO-STQMWFEESA-N 1 2 301.434 4.341 10 0 DIAELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCCc2cccc(F)c2)no1 ZINC000182725466 333081661 /nfs/dbraw/zinc/08/16/61/333081661.db2.gz CSPBRZZWZPIXDD-MRXNPFEDSA-N 1 2 317.408 4.102 10 0 DIAELO CC(C)c1nc([C@H]2CCC[N@H+]2CCCc2cccc(F)c2)no1 ZINC000182725466 333081662 /nfs/dbraw/zinc/08/16/62/333081662.db2.gz CSPBRZZWZPIXDD-MRXNPFEDSA-N 1 2 317.408 4.102 10 0 DIAELO Fc1c(Cl)cccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000158126868 338485673 /nfs/dbraw/zinc/48/56/73/338485673.db2.gz ZOLOPZZBVXNCJY-UHFFFAOYSA-N 1 2 305.784 4.086 10 0 DIAELO CC1(C)C[C@@H]([NH2+]Cc2ncc(Cl)s2)c2ccccc2O1 ZINC000349569571 335681514 /nfs/dbraw/zinc/68/15/14/335681514.db2.gz PNIFBIZIRPTYMF-LLVKDONJSA-N 1 2 308.834 4.189 10 0 DIAELO Cc1ccc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)nn1 ZINC000396577499 336283240 /nfs/dbraw/zinc/28/32/40/336283240.db2.gz QJXZDQMBEVSNGS-SECBINFHSA-N 1 2 314.191 4.082 10 0 DIAELO CCc1csc([C@@H]2CCCN(c3cc[nH+]c(C(C)C)n3)C2)n1 ZINC000301277352 336298267 /nfs/dbraw/zinc/29/82/67/336298267.db2.gz WUHCHIMTRGOQHE-CYBMUJFWSA-N 1 2 316.474 4.003 10 0 DIAELO Cc1cc(NC[C@H]2CCO[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301429754 336306212 /nfs/dbraw/zinc/30/62/12/336306212.db2.gz PZOLRFUYDGBLNW-AEFFLSMTSA-N 1 2 311.429 4.098 10 0 DIAELO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]1c1ccco1 ZINC000302673667 336364371 /nfs/dbraw/zinc/36/43/71/336364371.db2.gz SRNFZWFMSXKBNM-OAHLLOKOSA-N 1 2 308.381 4.486 10 0 DIAELO C[N@H+](Cc1ccco1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173459038 337135385 /nfs/dbraw/zinc/13/53/85/337135385.db2.gz FOYJXQBYDPDOHL-UHFFFAOYSA-N 1 2 302.761 4.220 10 0 DIAELO C[N@@H+](Cc1ccco1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173459038 337135386 /nfs/dbraw/zinc/13/53/86/337135386.db2.gz FOYJXQBYDPDOHL-UHFFFAOYSA-N 1 2 302.761 4.220 10 0 DIAELO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c(C)c1C ZINC000173759383 337136039 /nfs/dbraw/zinc/13/60/39/337136039.db2.gz OCNPSIPCUNEWFV-CQSZACIVSA-N 1 2 318.442 4.042 10 0 DIAELO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c(C)c1C ZINC000173759383 337136040 /nfs/dbraw/zinc/13/60/40/337136040.db2.gz OCNPSIPCUNEWFV-CQSZACIVSA-N 1 2 318.442 4.042 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccccn1 ZINC000181807031 337184886 /nfs/dbraw/zinc/18/48/86/337184886.db2.gz IEBHLDCIZSOESM-GFCCVEGCSA-N 1 2 313.788 4.241 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccncc1 ZINC000181900756 337185124 /nfs/dbraw/zinc/18/51/24/337185124.db2.gz QSKGIRGFXTXGNF-LBPRGKRZSA-N 1 2 313.788 4.241 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3cccc(F)c3)o2)o1 ZINC000182570742 337188995 /nfs/dbraw/zinc/18/89/95/337188995.db2.gz KMBYHTWZBOCITM-LBPRGKRZSA-N 1 2 300.333 4.233 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3ccc(F)c(F)c3)n2)o1 ZINC000182591131 337189171 /nfs/dbraw/zinc/18/91/71/337189171.db2.gz FJPPIYAQDVOVKH-NSHDSACASA-N 1 2 318.323 4.372 10 0 DIAELO c1ccc(-c2cnc(CNc3ccc4ccccc4[nH+]3)nc2)cc1 ZINC000186006869 337252714 /nfs/dbraw/zinc/25/27/14/337252714.db2.gz PXFZNNIDWVHYRY-UHFFFAOYSA-N 1 2 312.376 4.304 10 0 DIAELO COc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186061056 337253201 /nfs/dbraw/zinc/25/32/01/337253201.db2.gz FGQRAPKKNPZRLB-HNNXBMFYSA-N 1 2 319.408 4.003 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186063363 337253322 /nfs/dbraw/zinc/25/33/22/337253322.db2.gz QEJQFBCXXHAAGY-INIZCTEOSA-N 1 2 303.409 4.303 10 0 DIAELO CCn1cc[nH+]c1CSc1nc2cc(F)cc(Cl)c2o1 ZINC000187352985 337264211 /nfs/dbraw/zinc/26/42/11/337264211.db2.gz HHOHVLWYPKYSEZ-UHFFFAOYSA-N 1 2 311.769 4.129 10 0 DIAELO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000187939686 337268836 /nfs/dbraw/zinc/26/88/36/337268836.db2.gz MPLNWFARUZSEOR-MSOLQXFVSA-N 1 2 324.403 4.083 10 0 DIAELO Clc1ccsc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000193210828 337309423 /nfs/dbraw/zinc/30/94/23/337309423.db2.gz YFQAEZNQFDLFHY-UHFFFAOYSA-N 1 2 315.829 4.148 10 0 DIAELO CC(C)c1noc([C@@H](C)[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117895994 337393640 /nfs/dbraw/zinc/39/36/40/337393640.db2.gz DOQGJAGYUAYPQT-GFCCVEGCSA-N 1 2 303.431 4.105 10 0 DIAELO CC(C)c1noc([C@@H](C)[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117895994 337393641 /nfs/dbraw/zinc/39/36/41/337393641.db2.gz DOQGJAGYUAYPQT-GFCCVEGCSA-N 1 2 303.431 4.105 10 0 DIAELO CC(C)c1noc([C@H](C)[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117895997 337393751 /nfs/dbraw/zinc/39/37/51/337393751.db2.gz DOQGJAGYUAYPQT-LBPRGKRZSA-N 1 2 303.431 4.105 10 0 DIAELO CC(C)c1noc([C@H](C)[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000117895997 337393752 /nfs/dbraw/zinc/39/37/52/337393752.db2.gz DOQGJAGYUAYPQT-LBPRGKRZSA-N 1 2 303.431 4.105 10 0 DIAELO Cc1[nH+]cccc1N[C@H]1CCc2c1cccc2Br ZINC000225846914 340571662 /nfs/dbraw/zinc/57/16/62/340571662.db2.gz HMQBNIUDYBRBGB-HNNXBMFYSA-N 1 2 303.203 4.252 10 0 DIAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)C)no2)cc1 ZINC000181394336 519763604 /nfs/dbraw/zinc/76/36/04/519763604.db2.gz OXXOOWYGECTBJH-CQSZACIVSA-N 1 2 317.433 4.079 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)c1cccc(Cl)c1 ZINC000133729510 520033266 /nfs/dbraw/zinc/03/32/66/520033266.db2.gz IRSMUHJGWDLCEM-YUNKPMOVSA-N 1 2 310.850 4.127 10 0 DIAELO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000131488168 522915371 /nfs/dbraw/zinc/91/53/71/522915371.db2.gz UCFACNVBQRQGCO-KBPBESRZSA-N 1 2 317.433 4.079 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)o1 ZINC000182573373 525736532 /nfs/dbraw/zinc/73/65/32/525736532.db2.gz SSXOMZUPHSTINR-SNVBAGLBSA-N 1 2 324.211 4.393 10 0 DIAELO Cc1c([C@@H](C)Nc2ccc([NH+](C)C)cc2)cnn1C(C)(C)C ZINC000191466411 525905536 /nfs/dbraw/zinc/90/55/36/525905536.db2.gz MDCMEKXLQPXWMP-CYBMUJFWSA-N 1 2 300.450 4.186 10 0 DIAELO c1csc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000128226706 526582746 /nfs/dbraw/zinc/58/27/46/526582746.db2.gz LCNQORTUQDXXKE-AWEZNQCLSA-N 1 2 300.427 4.069 10 0 DIAELO COCC[N@H+](Cc1ccc2ccccc2n1)Cc1ccccc1F ZINC000055211674 563472610 /nfs/dbraw/zinc/47/26/10/563472610.db2.gz ALLWGGBERKRQDL-UHFFFAOYSA-N 1 2 324.399 4.023 10 0 DIAELO COCC[N@@H+](Cc1ccc2ccccc2n1)Cc1ccccc1F ZINC000055211674 563472611 /nfs/dbraw/zinc/47/26/11/563472611.db2.gz ALLWGGBERKRQDL-UHFFFAOYSA-N 1 2 324.399 4.023 10 0 DIAELO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccn2)s1 ZINC000055403886 563475092 /nfs/dbraw/zinc/47/50/92/563475092.db2.gz WYWYUZUBIWNGHL-UHFFFAOYSA-N 1 2 309.438 4.049 10 0 DIAELO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccn2)s1 ZINC000055403886 563475095 /nfs/dbraw/zinc/47/50/95/563475095.db2.gz WYWYUZUBIWNGHL-UHFFFAOYSA-N 1 2 309.438 4.049 10 0 DIAELO CCC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000162459992 1042126403 /nfs/dbraw/zinc/12/64/03/1042126403.db2.gz GMBYFVYETBWBBY-RBUKOAKNSA-N 1 2 320.440 4.334 10 0 DIAELO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(C)cc1 ZINC000162485165 1042127927 /nfs/dbraw/zinc/12/79/27/1042127927.db2.gz SNLHXLKXBXIIAV-RTBURBONSA-N 1 2 320.440 4.252 10 0 DIAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2cccc(C)c2C)c2ccccc2)[nH]1 ZINC000162494184 1042128039 /nfs/dbraw/zinc/12/80/39/1042128039.db2.gz WKZOVHZQNXWHAW-BEFAXECRSA-N 1 2 320.440 4.170 10 0 DIAELO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC000162609818 1042130754 /nfs/dbraw/zinc/13/07/54/1042130754.db2.gz LVLLRZCDHOWNTJ-ROUUACIJSA-N 1 2 324.403 4.083 10 0 DIAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000090223710 185287261 /nfs/dbraw/zinc/28/72/61/185287261.db2.gz CCQIADGGDVGTAU-CJNGLKHVSA-N 1 2 322.412 4.032 10 0 DIAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000090226370 185287520 /nfs/dbraw/zinc/28/75/20/185287520.db2.gz PHYYBVBINGPNAV-CJNGLKHVSA-N 1 2 324.428 4.135 10 0 DIAELO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)s1 ZINC000092831716 185344479 /nfs/dbraw/zinc/34/44/79/185344479.db2.gz YLGOQWKMMHSDGI-ZDUSSCGKSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)s1 ZINC000092831716 185344480 /nfs/dbraw/zinc/34/44/80/185344480.db2.gz YLGOQWKMMHSDGI-ZDUSSCGKSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1csc([C@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000092807524 185342565 /nfs/dbraw/zinc/34/25/65/185342565.db2.gz IHURMIVEWRFHMP-CYBMUJFWSA-N 1 2 322.499 4.076 10 0 DIAELO CC(C)(C)c1csc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000092807524 185342566 /nfs/dbraw/zinc/34/25/66/185342566.db2.gz IHURMIVEWRFHMP-CYBMUJFWSA-N 1 2 322.499 4.076 10 0 DIAELO c1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccncc1 ZINC000071704077 191009341 /nfs/dbraw/zinc/00/93/41/191009341.db2.gz IHVLQYZYUOLNRD-LJQANCHMSA-N 1 2 300.365 4.159 10 0 DIAELO CCCn1c(C)c(CO)c2cc[nH+]c(NCc3ccccc3C)c21 ZINC000146424220 186038569 /nfs/dbraw/zinc/03/85/69/186038569.db2.gz CWHBZLVULUHQFC-UHFFFAOYSA-N 1 2 323.440 4.168 10 0 DIAELO CCCC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccnc2ccccc12 ZINC000072473356 191176034 /nfs/dbraw/zinc/17/60/34/191176034.db2.gz HNEGOGJYYVJCKD-IBGZPJMESA-N 1 2 320.440 4.248 10 0 DIAELO CCCC[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000072473356 191176037 /nfs/dbraw/zinc/17/60/37/191176037.db2.gz HNEGOGJYYVJCKD-IBGZPJMESA-N 1 2 320.440 4.248 10 0 DIAELO CC(C)=CC[N@H+]1Cc2c3c(ccc2F)[nH]c(=S)n3C[C@@H]1C ZINC000005551648 181256272 /nfs/dbraw/zinc/25/62/72/181256272.db2.gz BWXJQEVUMJWLQI-NSHDSACASA-N 1 2 305.422 4.008 10 0 DIAELO CC(C)=CC[N@@H+]1Cc2c3c(ccc2F)[nH]c(=S)n3C[C@@H]1C ZINC000005551648 181256273 /nfs/dbraw/zinc/25/62/73/181256273.db2.gz BWXJQEVUMJWLQI-NSHDSACASA-N 1 2 305.422 4.008 10 0 DIAELO Cc1c[nH]c(CN2CCc3c4ccccc4[nH]c3[C@@H]2CC(C)C)[nH+]1 ZINC000015961690 182026361 /nfs/dbraw/zinc/02/63/61/182026361.db2.gz MJHDDCHKZNMPOF-SFHVURJKSA-N 1 2 322.456 4.345 10 0 DIAELO c1ccc(C2N[C@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+]2)cc1 ZINC000021983346 182301457 /nfs/dbraw/zinc/30/14/57/182301457.db2.gz VJWNWMOGJOGCRF-WOJBJXKFSA-N 1 2 300.405 4.361 10 0 DIAELO Cc1[nH+]c2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000040224652 183046796 /nfs/dbraw/zinc/04/67/96/183046796.db2.gz LIOKKXJJAJLTSG-UHFFFAOYSA-N 1 2 300.789 4.386 10 0 DIAELO CCc1[nH+]c2ccccc2n1CCCOc1cccc(OC)c1 ZINC000040227407 183047871 /nfs/dbraw/zinc/04/78/71/183047871.db2.gz ZCGDSWNWLFQFLM-UHFFFAOYSA-N 1 2 310.397 4.076 10 0 DIAELO CCc1[nH+]c2ccccc2n1CCCOc1ccc(OC)cc1 ZINC000040227425 183048168 /nfs/dbraw/zinc/04/81/68/183048168.db2.gz AERYDMNPXOJNSB-UHFFFAOYSA-N 1 2 310.397 4.076 10 0 DIAELO Cc1ccc(Nc2[nH+]cnc(NC3CCCCC3)c2N)c(C)c1 ZINC000040708496 183121300 /nfs/dbraw/zinc/12/13/00/183121300.db2.gz MKEAOXHBKMOXBA-UHFFFAOYSA-N 1 2 311.433 4.164 10 0 DIAELO Cc1c(Cl)cccc1Nc1[nH+]cnc(NC2CCCC2)c1N ZINC000040701655 183119923 /nfs/dbraw/zinc/11/99/23/183119923.db2.gz GCOPYGCODWFBQV-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO Cc1c(Cl)cccc1Nc1nc[nH+]c(NC2CCCC2)c1N ZINC000040701655 183119925 /nfs/dbraw/zinc/11/99/25/183119925.db2.gz GCOPYGCODWFBQV-UHFFFAOYSA-N 1 2 317.824 4.119 10 0 DIAELO CNc1cc(C(C)C)[nH+]c(-c2cccc(Br)c2)n1 ZINC000050851581 183806095 /nfs/dbraw/zinc/80/60/95/183806095.db2.gz CCFLHJQBPUCVMZ-UHFFFAOYSA-N 1 2 306.207 4.071 10 0 DIAELO CNc1[nH+]cccc1CSc1cccc(Br)c1 ZINC000055309638 183978704 /nfs/dbraw/zinc/97/87/04/183978704.db2.gz KJRDEJSYAABGST-UHFFFAOYSA-N 1 2 309.232 4.178 10 0 DIAELO c1ccc([C@@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccn2)cc1 ZINC000192794493 336262030 /nfs/dbraw/zinc/26/20/30/336262030.db2.gz IYEUXXJGMIUEJN-GHTZIAJQSA-N 1 2 316.404 4.284 10 0 DIAELO Cn1c(CNc2ccc3ccccc3[nH+]2)cc(Cl)c1Cl ZINC000301658443 336321301 /nfs/dbraw/zinc/32/13/01/336321301.db2.gz STROHZNXAQGNHI-UHFFFAOYSA-N 1 2 306.196 4.492 10 0 DIAELO Cc1nc(N2CC=C(c3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000302072244 336346957 /nfs/dbraw/zinc/34/69/57/336346957.db2.gz ZDUIFIZTIOANSM-UHFFFAOYSA-N 1 2 311.454 4.019 10 0 DIAELO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(F)c(Cl)c1 ZINC000302877061 336372777 /nfs/dbraw/zinc/37/27/77/336372777.db2.gz FVHIFBYNRAAHIA-NSHDSACASA-N 1 2 320.799 4.042 10 0 DIAELO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(F)c(Cl)c1 ZINC000302877061 336372778 /nfs/dbraw/zinc/37/27/78/336372778.db2.gz FVHIFBYNRAAHIA-NSHDSACASA-N 1 2 320.799 4.042 10 0 DIAELO c1csc(C2=CC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)c1 ZINC000172194045 337090337 /nfs/dbraw/zinc/09/03/37/337090337.db2.gz UFWMKDWGWGIRBQ-UHFFFAOYSA-N 1 2 323.421 4.087 10 0 DIAELO c1csc(C2=CC[N@@H+](Cc3nnc(-c4ccccc4)o3)CC2)c1 ZINC000172194045 337090338 /nfs/dbraw/zinc/09/03/38/337090338.db2.gz UFWMKDWGWGIRBQ-UHFFFAOYSA-N 1 2 323.421 4.087 10 0 DIAELO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000181870630 337185128 /nfs/dbraw/zinc/18/51/28/337185128.db2.gz FSHFYJYFIDOXHU-CJNGLKHVSA-N 1 2 324.428 4.081 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3Cl)o2)o1 ZINC000183074002 337191337 /nfs/dbraw/zinc/19/13/37/337191337.db2.gz PXZSTCATAMDBLA-LLVKDONJSA-N 1 2 317.776 4.142 10 0 DIAELO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000183586375 337193718 /nfs/dbraw/zinc/19/37/18/337193718.db2.gz WUJHJKOBSHYOAS-SNVBAGLBSA-N 1 2 316.348 4.400 10 0 DIAELO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000183586375 337193719 /nfs/dbraw/zinc/19/37/19/337193719.db2.gz WUJHJKOBSHYOAS-SNVBAGLBSA-N 1 2 316.348 4.400 10 0 DIAELO CSc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185872664 337252168 /nfs/dbraw/zinc/25/21/68/337252168.db2.gz DIYJWHBRBVEHTQ-UHFFFAOYSA-N 1 2 321.449 4.155 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000186050644 337253130 /nfs/dbraw/zinc/25/31/30/337253130.db2.gz TWBTYIUEVHWENQ-CQSZACIVSA-N 1 2 309.438 4.364 10 0 DIAELO CCC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccn1 ZINC000186059829 337253220 /nfs/dbraw/zinc/25/32/20/337253220.db2.gz YRKJCRKUTGJHPF-GOSISDBHSA-N 1 2 318.424 4.170 10 0 DIAELO C[C@H]1COC[C@H](C)[NH+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000187074482 337261679 /nfs/dbraw/zinc/26/16/79/337261679.db2.gz RHWVQOSSVWNHQK-RYUDHWBXSA-N 1 2 322.861 4.073 10 0 DIAELO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000189282820 337278270 /nfs/dbraw/zinc/27/82/70/337278270.db2.gz ZIPAYYZLVZTFIB-CQSZACIVSA-N 1 2 313.401 4.168 10 0 DIAELO Fc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000189282820 337278271 /nfs/dbraw/zinc/27/82/71/337278271.db2.gz ZIPAYYZLVZTFIB-CQSZACIVSA-N 1 2 313.401 4.168 10 0 DIAELO Cc1nc([C@@H]2CCC[N@@H+]2CCC(Cl)(Cl)Cl)cs1 ZINC000189804556 337283212 /nfs/dbraw/zinc/28/32/12/337283212.db2.gz ZBBMEWHYUBHDFF-JTQLQIEISA-N 1 2 313.681 4.349 10 0 DIAELO Cc1nc([C@@H]2CCC[N@H+]2CCC(Cl)(Cl)Cl)cs1 ZINC000189804556 337283213 /nfs/dbraw/zinc/28/32/13/337283213.db2.gz ZBBMEWHYUBHDFF-JTQLQIEISA-N 1 2 313.681 4.349 10 0 DIAELO COc1ccc2c(cc(C)[nH+]c2[C@H](O)c2ccc(Cl)cc2)c1 ZINC000584619873 337371215 /nfs/dbraw/zinc/37/12/15/337371215.db2.gz JXJUGWZZQFVQSG-GOSISDBHSA-N 1 2 313.784 4.287 10 0 DIAELO c1coc([C@H]2CCC[N@H+]2Cc2csc(-c3ccccn3)n2)c1 ZINC000116293949 337392595 /nfs/dbraw/zinc/39/25/95/337392595.db2.gz FSZWNAHJAXYUKO-OAHLLOKOSA-N 1 2 311.410 4.135 10 0 DIAELO c1coc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)c1 ZINC000116293949 337392596 /nfs/dbraw/zinc/39/25/96/337392596.db2.gz FSZWNAHJAXYUKO-OAHLLOKOSA-N 1 2 311.410 4.135 10 0 DIAELO FC(F)n1c(C[N@@H+]2CCC[C@@H]2c2ccco2)nc2ccccc21 ZINC000116404630 337392717 /nfs/dbraw/zinc/39/27/17/337392717.db2.gz CSZMAXKRDLACKE-CQSZACIVSA-N 1 2 317.339 4.362 10 0 DIAELO FC(F)n1c(C[N@H+]2CCC[C@@H]2c2ccco2)nc2ccccc21 ZINC000116404630 337392718 /nfs/dbraw/zinc/39/27/18/337392718.db2.gz CSZMAXKRDLACKE-CQSZACIVSA-N 1 2 317.339 4.362 10 0 DIAELO CC(C)n1cc[nH+]c1CSCc1cnn(-c2ccccc2)c1 ZINC000124945941 337408500 /nfs/dbraw/zinc/40/85/00/337408500.db2.gz IOFZAUKRLFYUKG-UHFFFAOYSA-N 1 2 312.442 4.083 10 0 DIAELO CCCC[C@@H](CC)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000117258839 337846851 /nfs/dbraw/zinc/84/68/51/337846851.db2.gz JVJKLYXMKMZGPX-OAHLLOKOSA-N 1 2 319.493 4.035 10 0 DIAELO C[C@H]([NH2+]Cc1ccoc1)c1csc(-c2ccccc2F)n1 ZINC000462898126 339096751 /nfs/dbraw/zinc/09/67/51/339096751.db2.gz ZJKMDJUGZUZMRY-NSHDSACASA-N 1 2 302.374 4.393 10 0 DIAELO Cc1ccc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000174205686 340384035 /nfs/dbraw/zinc/38/40/35/340384035.db2.gz PTTUTUDWSXLJPV-OAHLLOKOSA-N 1 2 320.396 4.063 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)o1 ZINC000194413547 340592221 /nfs/dbraw/zinc/59/22/21/340592221.db2.gz RAZZMMWOEZPPBK-ZIAGYGMSSA-N 1 2 311.385 4.358 10 0 DIAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)c1cnccn1 ZINC000125879046 340813506 /nfs/dbraw/zinc/81/35/06/340813506.db2.gz GQMGIGYVPHLFIK-RKDXNWHRSA-N 1 2 314.191 4.334 10 0 DIAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)no1 ZINC000127882997 519867027 /nfs/dbraw/zinc/86/70/27/519867027.db2.gz CEVPDWCIMBJDPR-INIZCTEOSA-N 1 2 310.401 4.011 10 0 DIAELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)no1 ZINC000127882997 519867028 /nfs/dbraw/zinc/86/70/28/519867028.db2.gz CEVPDWCIMBJDPR-INIZCTEOSA-N 1 2 310.401 4.011 10 0 DIAELO CCC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000162459909 520793735 /nfs/dbraw/zinc/79/37/35/520793735.db2.gz GMBYFVYETBWBBY-MOPGFXCFSA-N 1 2 320.440 4.334 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3C)no2)o1 ZINC000182573932 525742362 /nfs/dbraw/zinc/74/23/62/525742362.db2.gz GKCQCQIVBZZBTP-KGLIPLIRSA-N 1 2 311.385 4.358 10 0 DIAELO Clc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1Cl ZINC000048409088 563574779 /nfs/dbraw/zinc/57/47/79/563574779.db2.gz BWHRCMZEZPHRGQ-UHFFFAOYSA-N 1 2 306.196 4.160 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)c2ccccc2)[nH]1 ZINC000162529020 1042127448 /nfs/dbraw/zinc/12/74/48/1042127448.db2.gz BEKRQWGEOCDRLW-HNAYVOBHSA-N 1 2 320.440 4.170 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2cccc(C)c2C)c2ccccc2)[nH]1 ZINC000162494558 1042127980 /nfs/dbraw/zinc/12/79/80/1042127980.db2.gz WKZOVHZQNXWHAW-HNAYVOBHSA-N 1 2 320.440 4.170 10 0 DIAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(C)cc2C)c2ccccc2)[nH]1 ZINC000162585304 1042129617 /nfs/dbraw/zinc/12/96/17/1042129617.db2.gz BIRDIWJWSLKHSM-HNAYVOBHSA-N 1 2 320.440 4.170 10 0 DIAELO CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cs1 ZINC000090048371 185279809 /nfs/dbraw/zinc/27/98/09/185279809.db2.gz CUQUXSPSZICUHO-OCCSQVGLSA-N 1 2 302.443 4.441 10 0 DIAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000090226367 185287537 /nfs/dbraw/zinc/28/75/37/185287537.db2.gz PHYYBVBINGPNAV-CZUORRHYSA-N 1 2 324.428 4.135 10 0 DIAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000090226373 185287819 /nfs/dbraw/zinc/28/78/19/185287819.db2.gz PHYYBVBINGPNAV-BBRMVZONSA-N 1 2 324.428 4.135 10 0 DIAELO CCN(C(=O)Cn1c2ccccc2[nH+]c1C(C)C)c1ccccc1 ZINC000040231381 183048602 /nfs/dbraw/zinc/04/86/02/183048602.db2.gz BIAVBPCQXJJHEJ-UHFFFAOYSA-N 1 2 321.424 4.213 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)cc1C ZINC000040295750 183052551 /nfs/dbraw/zinc/05/25/51/183052551.db2.gz ZZSUTOJCBXXUDJ-UHFFFAOYSA-N 1 2 321.424 4.244 10 0 DIAELO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C)c1C ZINC000040295748 183052723 /nfs/dbraw/zinc/05/27/23/183052723.db2.gz JSOLPRCRLWCSTJ-UHFFFAOYSA-N 1 2 321.424 4.244 10 0 DIAELO Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C(C)C)c1C ZINC000040295664 183052766 /nfs/dbraw/zinc/05/27/66/183052766.db2.gz WZBRJFILNKMEOW-UHFFFAOYSA-N 1 2 321.424 4.415 10 0 DIAELO Cc1ccc(C)c(Cn2c3cc(C)c(C)cc3[nH+]c2CCCO)c1 ZINC000040310951 183053431 /nfs/dbraw/zinc/05/34/31/183053431.db2.gz XJXXWSARPUCRFB-UHFFFAOYSA-N 1 2 322.452 4.243 10 0 DIAELO Cc1cccc(Nc2[nH+]cnc(NC3CCCCC3)c2N)c1C ZINC000040708494 183120612 /nfs/dbraw/zinc/12/06/12/183120612.db2.gz JLPJGZBVFOAKCZ-UHFFFAOYSA-N 1 2 311.433 4.164 10 0 DIAELO CC(C)CCNc1nc[nH+]c(Nc2ccc(F)c(Cl)c2)c1N ZINC000040797604 183135099 /nfs/dbraw/zinc/13/50/99/183135099.db2.gz MXVZBPQOXCIWDY-UHFFFAOYSA-N 1 2 323.803 4.053 10 0 DIAELO CC(C)CCNc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040797604 183135100 /nfs/dbraw/zinc/13/51/00/183135100.db2.gz MXVZBPQOXCIWDY-UHFFFAOYSA-N 1 2 323.803 4.053 10 0 DIAELO Nc1c(Nc2ccccc2F)nc[nH+]c1NC1CCCCCC1 ZINC000040759326 183130346 /nfs/dbraw/zinc/13/03/46/183130346.db2.gz REJBELCQLYXFCH-UHFFFAOYSA-N 1 2 315.396 4.076 10 0 DIAELO Cc1ccc2oc(N3CCC[C@H]3c3[nH]c4c([nH+]3)CCCC4)nc2c1 ZINC000275386547 130313463 /nfs/dbraw/zinc/31/34/63/130313463.db2.gz AIBYLPLFBUKMCA-INIZCTEOSA-N 1 2 322.412 4.080 10 0 DIAELO c1csc(-c2ncc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)s2)c1 ZINC000091979123 332116518 /nfs/dbraw/zinc/11/65/18/332116518.db2.gz WAOYDTZVODSLIL-UONOGXRCSA-N 1 2 320.483 4.015 10 0 DIAELO c1csc(-c2ncc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)s2)c1 ZINC000091979123 332116519 /nfs/dbraw/zinc/11/65/19/332116519.db2.gz WAOYDTZVODSLIL-UONOGXRCSA-N 1 2 320.483 4.015 10 0 DIAELO Cc1cc[nH+]c(N[C@H](C)c2cccc(O)c2)c1Br ZINC000394758684 333519629 /nfs/dbraw/zinc/51/96/29/333519629.db2.gz ZYADCLNLNNCNFG-SNVBAGLBSA-N 1 2 307.191 4.031 10 0 DIAELO Cc1ccc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)nn1 ZINC000396577501 336283226 /nfs/dbraw/zinc/28/32/26/336283226.db2.gz QJXZDQMBEVSNGS-VIFPVBQESA-N 1 2 314.191 4.082 10 0 DIAELO Cc1cc(N[C@@H](C)c2c(Cl)ccc(F)c2Cl)nc[nH+]1 ZINC000301232123 336295974 /nfs/dbraw/zinc/29/59/74/336295974.db2.gz IECNKIFYNWIEKE-QMMMGPOBSA-N 1 2 300.164 4.404 10 0 DIAELO Cn1c(CNc2cc(C(F)(F)F)cc[nH+]2)cc(Cl)c1Cl ZINC000301636875 336319737 /nfs/dbraw/zinc/31/97/37/336319737.db2.gz LEEYTCVZVCCVKS-UHFFFAOYSA-N 1 2 324.133 4.358 10 0 DIAELO C=Cn1cc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)cn1 ZINC000194239454 337086260 /nfs/dbraw/zinc/08/62/60/337086260.db2.gz KTBRTCANVBCRMU-VIFPVBQESA-N 1 2 314.191 4.280 10 0 DIAELO O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCn2cc[nH+]c21 ZINC000174916381 337143656 /nfs/dbraw/zinc/14/36/56/337143656.db2.gz WORWXBKXGOMMTJ-QGZVFWFLSA-N 1 2 317.392 4.066 10 0 DIAELO c1cc(C2CC[NH+](Cc3ccc(Oc4ccccc4)o3)CC2)[nH]n1 ZINC000180427509 337174315 /nfs/dbraw/zinc/17/43/15/337174315.db2.gz YVVMJGQKTYKUJT-UHFFFAOYSA-N 1 2 323.396 4.175 10 0 DIAELO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccncc3)o2)cc1C ZINC000181600444 337183253 /nfs/dbraw/zinc/18/32/53/337183253.db2.gz KOZLCLNJYKXIQC-GJZGRUSLSA-N 1 2 322.412 4.160 10 0 DIAELO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000181870594 337184932 /nfs/dbraw/zinc/18/49/32/337184932.db2.gz FSHFYJYFIDOXHU-CZUORRHYSA-N 1 2 324.428 4.081 10 0 DIAELO Cc1ccccc1[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185825004 337250507 /nfs/dbraw/zinc/25/05/07/337250507.db2.gz MRFROOFERBQHLJ-INIZCTEOSA-N 1 2 303.409 4.303 10 0 DIAELO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(-c3ccccc3)cn1)CC2 ZINC000185825941 337250621 /nfs/dbraw/zinc/25/06/21/337250621.db2.gz WHWCXISDXORQPS-IBGZPJMESA-N 1 2 319.383 4.060 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(Cl)nc1 ZINC000186061863 337253162 /nfs/dbraw/zinc/25/31/62/337253162.db2.gz WDFXWNCQMKUTMZ-ZDUSSCGKSA-N 1 2 324.815 4.043 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(Cl)nc1 ZINC000186061878 337253243 /nfs/dbraw/zinc/25/32/43/337253243.db2.gz WDFXWNCQMKUTMZ-CYBMUJFWSA-N 1 2 324.815 4.043 10 0 DIAELO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(-c3ccccc3)cn1)CC2 ZINC000186053661 337253278 /nfs/dbraw/zinc/25/32/78/337253278.db2.gz RZUUSYQMVFAZJM-HXUWFJFHSA-N 1 2 315.420 4.229 10 0 DIAELO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1cccc(F)c1 ZINC000187939658 337268861 /nfs/dbraw/zinc/26/88/61/337268861.db2.gz MPLNWFARUZSEOR-ROUUACIJSA-N 1 2 324.403 4.083 10 0 DIAELO CC(C)(CC1CCCCCC1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000188908196 337275543 /nfs/dbraw/zinc/27/55/43/337275543.db2.gz XYHOCZBSFAGJFC-MRXNPFEDSA-N 1 2 317.477 4.016 10 0 DIAELO COCCCOc1cc2c(cc1Cl)C=[NH+][C@H](C(C)(C)C)C2 ZINC000584605677 337371612 /nfs/dbraw/zinc/37/16/12/337371612.db2.gz MDNZHTFYXMWCSY-INIZCTEOSA-N 1 2 309.837 4.145 10 0 DIAELO c1coc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccco3)cs2)c1 ZINC000116290773 337392431 /nfs/dbraw/zinc/39/24/31/337392431.db2.gz VDYQNNDGSMUUQF-ZDUSSCGKSA-N 1 2 300.383 4.333 10 0 DIAELO c1coc(-c2nc(C[N@H+]3CCC[C@H]3c3ccco3)cs2)c1 ZINC000116290773 337392432 /nfs/dbraw/zinc/39/24/32/337392432.db2.gz VDYQNNDGSMUUQF-ZDUSSCGKSA-N 1 2 300.383 4.333 10 0 DIAELO CCn1cc[nH+]c1CSCc1ccc(C(F)(F)F)cc1 ZINC000083631944 337842574 /nfs/dbraw/zinc/84/25/74/337842574.db2.gz WGFKMSSSJMEOKI-UHFFFAOYSA-N 1 2 300.349 4.355 10 0 DIAELO Cc1[nH+]cccc1N[C@@H]1CCc2c1cccc2Br ZINC000225846895 340571697 /nfs/dbraw/zinc/57/16/97/340571697.db2.gz HMQBNIUDYBRBGB-OAHLLOKOSA-N 1 2 303.203 4.252 10 0 DIAELO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1c(Cl)ccc(F)c1Cl ZINC000125878795 340813448 /nfs/dbraw/zinc/81/34/48/340813448.db2.gz GQMGIGYVPHLFIK-DTWKUNHWSA-N 1 2 314.191 4.334 10 0 DIAELO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000181570151 520030404 /nfs/dbraw/zinc/03/04/04/520030404.db2.gz LWZGCZAJPMLDKM-LBPRGKRZSA-N 1 2 322.250 4.077 10 0 DIAELO CC[C@H](c1ccc(F)cc1)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176843993 522933407 /nfs/dbraw/zinc/93/34/07/522933407.db2.gz GLRVHVPWLZBUKT-QVKFZJNVSA-N 1 2 308.422 4.003 10 0 DIAELO Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000162258228 525800542 /nfs/dbraw/zinc/80/05/42/525800542.db2.gz WQCUGVLRWGVENM-INIZCTEOSA-N 1 2 313.401 4.359 10 0 DIAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3C)no2)o1 ZINC000182573896 525934580 /nfs/dbraw/zinc/93/45/80/525934580.db2.gz GKCQCQIVBZZBTP-KBPBESRZSA-N 1 2 311.385 4.358 10 0 DIAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc(-c3ccccc3C)no2)o1 ZINC000182573875 525943961 /nfs/dbraw/zinc/94/39/61/525943961.db2.gz GKCQCQIVBZZBTP-UONOGXRCSA-N 1 2 311.385 4.358 10 0 DIAELO Cc1cnc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181736665 526043195 /nfs/dbraw/zinc/04/31/95/526043195.db2.gz ZYUJZIHNOOFPKZ-HNNXBMFYSA-N 1 2 302.418 4.259 10 0 DIAELO O=C(CC[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000182180955 526483983 /nfs/dbraw/zinc/48/39/83/526483983.db2.gz WTBQXANTPCATBO-OAHLLOKOSA-N 1 2 318.417 4.082 10 0 DIAELO O=C(CC[N@H+]1CCCC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000182180955 526483990 /nfs/dbraw/zinc/48/39/90/526483990.db2.gz WTBQXANTPCATBO-OAHLLOKOSA-N 1 2 318.417 4.082 10 0 DIAELO Clc1cccc(Cl)c1C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000048409128 563574607 /nfs/dbraw/zinc/57/46/07/563574607.db2.gz FGZYXLGXFVSCJR-UHFFFAOYSA-N 1 2 306.196 4.160 10 0 DIAELO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(C)cc1 ZINC000162484793 1042127972 /nfs/dbraw/zinc/12/79/72/1042127972.db2.gz SNLHXLKXBXIIAV-OALUTQOASA-N 1 2 320.440 4.252 10 0 DIAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(C)cc1 ZINC000162485045 1042128015 /nfs/dbraw/zinc/12/80/15/1042128015.db2.gz SNLHXLKXBXIIAV-RBUKOAKNSA-N 1 2 320.440 4.252 10 0 DIAELO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1cccs1 ZINC000162532948 1042128030 /nfs/dbraw/zinc/12/80/30/1042128030.db2.gz UUDZAMRTWVTYMU-ZBFHGGJFSA-N 1 2 312.442 4.005 10 0 DIAELO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1Cl ZINC000195360019 1046592391 /nfs/dbraw/zinc/59/23/91/1046592391.db2.gz CANZOUKEORAZIG-CABCVRRESA-N 1 2 322.861 4.057 10 0 DIAELO O[C@@H](C[N@H+]1CCCC[C@@H]1c1nccs1)c1ccccc1Cl ZINC000195360019 1046592399 /nfs/dbraw/zinc/59/23/99/1046592399.db2.gz CANZOUKEORAZIG-CABCVRRESA-N 1 2 322.861 4.057 10 0 DIAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000090223706 185287479 /nfs/dbraw/zinc/28/74/79/185287479.db2.gz CCQIADGGDVGTAU-XJKSGUPXSA-N 1 2 322.412 4.032 10 0 DIAELO CC[C@@H](C)c1ccccc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000005628017 181265624 /nfs/dbraw/zinc/26/56/24/181265624.db2.gz UWENDHSSMGMSKJ-CQSZACIVSA-N 1 2 321.424 4.497 10 0 DIAELO Nc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2cc[nH+]c2)cc1 ZINC000005939293 181298701 /nfs/dbraw/zinc/29/87/01/181298701.db2.gz WHBXFKZDJXQRSD-FQEVSTJZSA-N 1 2 314.392 4.098 10 0 DIAELO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ncc(C(C)(C)C)o1 ZINC000192356893 335027774 /nfs/dbraw/zinc/02/77/74/335027774.db2.gz KJTKKULSKDVENH-SWLSCSKDSA-N 1 2 314.429 4.406 10 0 DIAELO CCCCn1c(CCCCCNC(=O)CC)[nH+]c2ccccc21 ZINC000040211068 183045387 /nfs/dbraw/zinc/04/53/87/183045387.db2.gz YFLDBPDZMLBSCX-UHFFFAOYSA-N 1 2 315.461 4.075 10 0 DIAELO COc1cccc(OCCCCn2c(C)[nH+]c3ccccc32)c1 ZINC000040224731 183047090 /nfs/dbraw/zinc/04/70/90/183047090.db2.gz PVPWRMAUHMWPLF-UHFFFAOYSA-N 1 2 310.397 4.213 10 0 DIAELO CCc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295916 183052488 /nfs/dbraw/zinc/05/24/88/183052488.db2.gz OVTOYWRFFAPEEY-UHFFFAOYSA-N 1 2 319.408 4.115 10 0 DIAELO Cc1ccccc1Nc1[nH+]cnc(NC2CCCCCC2)c1N ZINC000040781244 183133012 /nfs/dbraw/zinc/13/30/12/183133012.db2.gz NADDWVWKABGHDE-UHFFFAOYSA-N 1 2 311.433 4.246 10 0 DIAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2Br)o1 ZINC000220888188 331621542 /nfs/dbraw/zinc/62/15/42/331621542.db2.gz ZJEHYWUWCFQETB-WDEREUQCSA-N 1 2 309.207 4.157 10 0 DIAELO Cc1ccc([C@H]2CCCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000408463613 332562577 /nfs/dbraw/zinc/56/25/77/332562577.db2.gz GKDBNCWPLQGAGD-OAHLLOKOSA-N 1 2 313.401 4.277 10 0 DIAELO Clc1scc(C[NH2+]Cc2nnc(C3CC3)s2)c1Cl ZINC000414552813 334016053 /nfs/dbraw/zinc/01/60/53/334016053.db2.gz HSYPRJSSQPXUNR-UHFFFAOYSA-N 1 2 320.270 4.074 10 0 DIAELO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000050601857 334720919 /nfs/dbraw/zinc/72/09/19/334720919.db2.gz QSZPOHRLYZTMQU-SNVBAGLBSA-N 1 2 319.817 4.302 10 0 DIAELO c1ccc([C@@H]2OCC[C@@H]2CNc2ccc3ccccc3[nH+]2)cc1 ZINC000301442466 336307087 /nfs/dbraw/zinc/30/70/87/336307087.db2.gz UTUMMZZRAONZPW-XLIONFOSSA-N 1 2 304.393 4.425 10 0 DIAELO CC(C)(C)c1nc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000301526811 336312603 /nfs/dbraw/zinc/31/26/03/336312603.db2.gz NRBIFLMCJMKREM-WDEREUQCSA-N 1 2 301.356 4.307 10 0 DIAELO Cn1cc(-c2cccc(CNc3ccc4ccccc4[nH+]3)c2)cn1 ZINC000301875840 336335706 /nfs/dbraw/zinc/33/57/06/336335706.db2.gz KEBILDIVEHETHJ-UHFFFAOYSA-N 1 2 314.392 4.247 10 0 DIAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1cccc2ccccc21 ZINC000177113514 337154260 /nfs/dbraw/zinc/15/42/60/337154260.db2.gz VXRAPEIIQDOEQD-JOCHJYFZSA-N 1 2 312.438 4.066 10 0 DIAELO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1F ZINC000180414639 337174384 /nfs/dbraw/zinc/17/43/84/337174384.db2.gz UUQOTXQLSYNGRV-ROUUACIJSA-N 1 2 324.403 4.083 10 0 DIAELO c1csc(C[NH2+]C2c3ccccc3CCc3ccccc32)n1 ZINC000180181513 337175178 /nfs/dbraw/zinc/17/51/78/337175178.db2.gz JXINJAXJHQFGGD-UHFFFAOYSA-N 1 2 306.434 4.121 10 0 DIAELO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3ccncc3)o2)cc1C ZINC000181600478 337183247 /nfs/dbraw/zinc/18/32/47/337183247.db2.gz KOZLCLNJYKXIQC-CABCVRRESA-N 1 2 322.412 4.160 10 0 DIAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1cccnc1 ZINC000181658600 337183540 /nfs/dbraw/zinc/18/35/40/337183540.db2.gz CIJLVARJRCDRMO-LBPRGKRZSA-N 1 2 313.788 4.241 10 0 DIAELO Cc1ccccc1[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185824984 337250492 /nfs/dbraw/zinc/25/04/92/337250492.db2.gz MRFROOFERBQHLJ-MRXNPFEDSA-N 1 2 303.409 4.303 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1 ZINC000185824356 337250504 /nfs/dbraw/zinc/25/05/04/337250504.db2.gz NYWURUJXKAXZSV-CQSZACIVSA-N 1 2 307.372 4.134 10 0 DIAELO Clc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000185878360 337252334 /nfs/dbraw/zinc/25/23/34/337252334.db2.gz HXOZGAZNHOGJEI-UHFFFAOYSA-N 1 2 309.800 4.087 10 0 DIAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186063341 337253301 /nfs/dbraw/zinc/25/33/01/337253301.db2.gz QEJQFBCXXHAAGY-MRXNPFEDSA-N 1 2 303.409 4.303 10 0 DIAELO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186065262 337253334 /nfs/dbraw/zinc/25/33/34/337253334.db2.gz HHNVGCQXNXDKFX-IBGZPJMESA-N 1 2 319.383 4.060 10 0 DIAELO Fc1ccc(CCn2c[nH+]cc2-c2cccc3ccncc32)cc1 ZINC000584605646 337371525 /nfs/dbraw/zinc/37/15/25/337371525.db2.gz HJSHUJZDENZJQW-UHFFFAOYSA-N 1 2 317.367 4.480 10 0 DIAELO CCOC(=O)CCCCCc1ccc([NH+]2CCCCC2)cc1 ZINC000584595191 337373955 /nfs/dbraw/zinc/37/39/55/337373955.db2.gz NEIWLBQSVCJFSZ-UHFFFAOYSA-N 1 2 303.446 4.343 10 0 DIAELO CC(C)CC(C)(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000084555251 338003583 /nfs/dbraw/zinc/00/35/83/338003583.db2.gz MFNZTBFUAUMDFR-OAHLLOKOSA-N 1 2 313.445 4.122 10 0 DIAELO C[C@@H](NC(=O)C1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931456 340378076 /nfs/dbraw/zinc/37/80/76/340378076.db2.gz IFFPWRMHBDAIIM-OAHLLOKOSA-N 1 2 311.429 4.020 10 0 DIAELO CC(C)n1cc[nH+]c1CNc1cccc(C(=O)c2ccccc2)c1 ZINC000124308948 340798281 /nfs/dbraw/zinc/79/82/81/340798281.db2.gz MLVMKJSVOSHYMB-UHFFFAOYSA-N 1 2 319.408 4.307 10 0 DIAELO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000128293194 340866507 /nfs/dbraw/zinc/86/65/07/340866507.db2.gz MCTIPKGOMGJPKY-OALUTQOASA-N 1 2 321.399 4.305 10 0 DIAELO CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)no1 ZINC000127883235 519868310 /nfs/dbraw/zinc/86/83/10/519868310.db2.gz CEVPDWCIMBJDPR-MRXNPFEDSA-N 1 2 310.401 4.011 10 0 DIAELO CC(C)c1nc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)no1 ZINC000127883235 519868311 /nfs/dbraw/zinc/86/83/11/519868311.db2.gz CEVPDWCIMBJDPR-MRXNPFEDSA-N 1 2 310.401 4.011 10 0 DIAELO CC(C)n1cc[nH+]c1CNc1cc(C(F)(F)F)ccc1F ZINC000124371491 520029248 /nfs/dbraw/zinc/02/92/48/520029248.db2.gz OKRMTICTCBRGFS-UHFFFAOYSA-N 1 2 301.287 4.234 10 0 DIAELO CCc1nc(C2([NH2+]Cc3ccc(Cl)cc3C)CCCC2)no1 ZINC000129308900 522243773 /nfs/dbraw/zinc/24/37/73/522243773.db2.gz YVXHTSRQKXUKBM-UHFFFAOYSA-N 1 2 319.836 4.153 10 0 DIAELO CC[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176843948 523090705 /nfs/dbraw/zinc/09/07/05/523090705.db2.gz GLRVHVPWLZBUKT-BTYIYWSLSA-N 1 2 308.422 4.003 10 0 DIAELO C[C@@H]1CC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2cccnc2)c2ccccc21 ZINC000195082329 524618258 /nfs/dbraw/zinc/61/82/58/524618258.db2.gz DXPTWAOUZVIAHV-ZMYBRWDISA-N 1 2 318.424 4.122 10 0 DIAELO c1csc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000128226445 526581231 /nfs/dbraw/zinc/58/12/31/526581231.db2.gz LCNQORTUQDXXKE-CQSZACIVSA-N 1 2 300.427 4.069 10 0 DIAELO c1csc([C@@H]2CCCC[N@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000127682134 526585499 /nfs/dbraw/zinc/58/54/99/526585499.db2.gz PTHYAWRDZLQPRU-INIZCTEOSA-N 1 2 312.438 4.146 10 0 DIAELO c1csc([C@@H]2CCCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000127682134 526585508 /nfs/dbraw/zinc/58/55/08/526585508.db2.gz PTHYAWRDZLQPRU-INIZCTEOSA-N 1 2 312.438 4.146 10 0 DIAELO COc1ccc(CCc2c[nH+]c3ccccc3c2OC)cc1OC ZINC000000900189 560179594 /nfs/dbraw/zinc/17/95/94/560179594.db2.gz JOJJOVBSZOUHPU-UHFFFAOYSA-N 1 2 323.392 4.046 10 0 in-vitro DIAELO CC[C@@]12C=CC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@H](OC)C2 ZINC000096023612 563774633 /nfs/dbraw/zinc/77/46/33/563774633.db2.gz GVXROOJTLRFORO-RLLQIKCJSA-N 1 2 308.425 4.055 10 0 DIAELO CC[C@@]12C=CC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@H](OC)C2 ZINC000096023612 563774636 /nfs/dbraw/zinc/77/46/36/563774636.db2.gz GVXROOJTLRFORO-RLLQIKCJSA-N 1 2 308.425 4.055 10 0 DIAELO O[C@H](C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccccc1Cl ZINC000249808672 1046862007 /nfs/dbraw/zinc/86/20/07/1046862007.db2.gz CANZOUKEORAZIG-LSDHHAIUSA-N 1 2 322.861 4.057 10 0 DIAELO O[C@H](C[N@H+]1CCCC[C@H]1c1nccs1)c1ccccc1Cl ZINC000249808672 1046862029 /nfs/dbraw/zinc/86/20/29/1046862029.db2.gz CANZOUKEORAZIG-LSDHHAIUSA-N 1 2 322.861 4.057 10 0 DIAELO C[C@H]1C[N@H+](Cc2ccc(Br)cc2Cl)CCS1 ZINC000134342244 341213546 /nfs/dbraw/zinc/21/35/46/341213546.db2.gz DCVOHLBQURJDDL-VIFPVBQESA-N 1 2 320.683 4.040 10 0 DIAELO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2Cl)CCS1 ZINC000134342244 341213547 /nfs/dbraw/zinc/21/35/47/341213547.db2.gz DCVOHLBQURJDDL-VIFPVBQESA-N 1 2 320.683 4.040 10 0 DIAELO COc1ccc(OCCn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000005238421 181220366 /nfs/dbraw/zinc/22/03/66/181220366.db2.gz ONUJLIUWAHIISC-UHFFFAOYSA-N 1 2 310.397 4.247 10 0 DIAELO COc1c(C)c[nH+]c(CNc2ccccc2Br)c1C ZINC000020051668 182183811 /nfs/dbraw/zinc/18/38/11/182183811.db2.gz GVIALCSCTRQILA-UHFFFAOYSA-N 1 2 321.218 4.082 10 0 DIAELO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034989171 182746892 /nfs/dbraw/zinc/74/68/92/182746892.db2.gz MJAKWJBWRGRTPS-QWRGUYRKSA-N 1 2 300.229 4.439 10 0 DIAELO COc1ccccc1OCCn1c2ccccc2[nH+]c1C(C)C ZINC000040231252 183047731 /nfs/dbraw/zinc/04/77/31/183047731.db2.gz LNFKJQNRONEOEO-UHFFFAOYSA-N 1 2 310.397 4.247 10 0 DIAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)c(C)c1 ZINC000040295948 183052802 /nfs/dbraw/zinc/05/28/02/183052802.db2.gz XIEUTQPWDQPTKF-UHFFFAOYSA-N 1 2 319.408 4.169 10 0 DIAELO COC(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000041055035 183159233 /nfs/dbraw/zinc/15/92/33/183159233.db2.gz JMURCRGXAIQSOO-UHFFFAOYSA-N 1 2 312.756 4.418 10 0 DIAELO Cc1ccccc1-c1ncc(C[N@@H+](C)[C@H](C)c2ccon2)s1 ZINC000065529089 184360101 /nfs/dbraw/zinc/36/01/01/184360101.db2.gz GSMOHDKTACANBO-CYBMUJFWSA-N 1 2 313.426 4.300 10 0 DIAELO Cc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)c2ccon2)s1 ZINC000065529089 184360103 /nfs/dbraw/zinc/36/01/03/184360103.db2.gz GSMOHDKTACANBO-CYBMUJFWSA-N 1 2 313.426 4.300 10 0 DIAELO C[C@@H]([NH2+]Cc1cncs1)c1c(Cl)ccc(F)c1Cl ZINC000133061040 332136311 /nfs/dbraw/zinc/13/63/11/332136311.db2.gz XMURTYXCQKRDAT-SSDOTTSWSA-N 1 2 305.205 4.440 10 0 DIAELO Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000176712070 332953338 /nfs/dbraw/zinc/95/33/38/332953338.db2.gz UOFOTMKMPSDGEO-LBPRGKRZSA-N 1 2 301.365 4.029 10 0 DIAELO CC(C)n1cc[nH+]c1CSCc1cccc(OC(F)F)c1 ZINC000176737478 332954292 /nfs/dbraw/zinc/95/42/92/332954292.db2.gz HPZKXOJTAGWCPS-UHFFFAOYSA-N 1 2 312.385 4.499 10 0 DIAELO Cc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)c(C)[nH+]1 ZINC000176767341 332955864 /nfs/dbraw/zinc/95/58/64/332955864.db2.gz MQLRCZDRKSPKND-NSHDSACASA-N 1 2 303.793 4.235 10 0 DIAELO Cc1nc(CNc2cc(C)[nH+]c3c(F)cccc23)c(C)s1 ZINC000301846682 336333874 /nfs/dbraw/zinc/33/38/74/336333874.db2.gz ULWXRRMLGMHFRE-UHFFFAOYSA-N 1 2 301.390 4.368 10 0 DIAELO Cc1ccc([C@H]2CCCN2c2nc(C)[nH+]c3c2CCCC3)s1 ZINC000302048052 336345398 /nfs/dbraw/zinc/34/53/98/336345398.db2.gz LZCDAEPZLFWJPP-MRXNPFEDSA-N 1 2 313.470 4.375 10 0 DIAELO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]1c1ccco1 ZINC000302673666 336364421 /nfs/dbraw/zinc/36/44/21/336364421.db2.gz SRNFZWFMSXKBNM-HNNXBMFYSA-N 1 2 308.381 4.486 10 0 DIAELO COc1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)ccc1C ZINC000193841460 337079531 /nfs/dbraw/zinc/07/95/31/337079531.db2.gz JTRUMCDKEFOWNV-HNNXBMFYSA-N 1 2 302.443 4.187 10 0 DIAELO COc1cc(C[N@H+]2CCCC[C@H]2c2nccs2)ccc1C ZINC000193841460 337079532 /nfs/dbraw/zinc/07/95/32/337079532.db2.gz JTRUMCDKEFOWNV-HNNXBMFYSA-N 1 2 302.443 4.187 10 0 DIAELO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000171111682 337086820 /nfs/dbraw/zinc/08/68/20/337086820.db2.gz GKQQZUKXKFVWET-SNVBAGLBSA-N 1 2 319.817 4.302 10 0 DIAELO C[C@@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccncc1 ZINC000181900774 337185074 /nfs/dbraw/zinc/18/50/74/337185074.db2.gz QSKGIRGFXTXGNF-GFCCVEGCSA-N 1 2 313.788 4.241 10 0 DIAELO Cc1cc(C)c(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1C ZINC000185872088 337252190 /nfs/dbraw/zinc/25/21/90/337252190.db2.gz INYYVRCQUTTZNY-UHFFFAOYSA-N 1 2 317.436 4.359 10 0 DIAELO COc1cccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000186047090 337253026 /nfs/dbraw/zinc/25/30/26/337253026.db2.gz DNZKDVCHIWOUKH-HNNXBMFYSA-N 1 2 319.408 4.003 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000186050662 337253072 /nfs/dbraw/zinc/25/30/72/337253072.db2.gz TWBTYIUEVHWENQ-AWEZNQCLSA-N 1 2 309.438 4.364 10 0 DIAELO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000187110244 337262561 /nfs/dbraw/zinc/26/25/61/337262561.db2.gz IWFIPCGBTPLBAM-UONOGXRCSA-N 1 2 323.396 4.157 10 0 DIAELO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(C)o3)co2)cc1 ZINC000193138948 337309794 /nfs/dbraw/zinc/30/97/94/337309794.db2.gz DJNSZQNQBMJFGQ-ZDUSSCGKSA-N 1 2 312.369 4.102 10 0 DIAELO COCCCOc1cc2c(cc1Cl)C=[NH+][C@@H](C(C)(C)C)C2 ZINC000584605684 337371617 /nfs/dbraw/zinc/37/16/17/337371617.db2.gz MDNZHTFYXMWCSY-MRXNPFEDSA-N 1 2 309.837 4.145 10 0 DIAELO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccco3)co2)c1 ZINC000116295056 337392527 /nfs/dbraw/zinc/39/25/27/337392527.db2.gz WYYYOOQDJSBAGB-MRXNPFEDSA-N 1 2 312.344 4.411 10 0 DIAELO Fc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccco3)co2)c1 ZINC000116295056 337392528 /nfs/dbraw/zinc/39/25/28/337392528.db2.gz WYYYOOQDJSBAGB-MRXNPFEDSA-N 1 2 312.344 4.411 10 0 DIAELO FC(F)(F)c1ccc(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000195104393 337465140 /nfs/dbraw/zinc/46/51/40/337465140.db2.gz JQXLNRACDJQYMZ-CQSZACIVSA-N 1 2 318.302 4.025 10 0 DIAELO Cc1cccc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174144693 340382981 /nfs/dbraw/zinc/38/29/81/340382981.db2.gz ISBAGUSCEGTOAZ-HNNXBMFYSA-N 1 2 320.396 4.063 10 0 DIAELO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000066391526 340845979 /nfs/dbraw/zinc/84/59/79/340845979.db2.gz AKBYQJZZCZUKNM-VHSXEESVSA-N 1 2 311.788 4.397 10 0 DIAELO FC(F)Oc1cccc(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000128433405 340885712 /nfs/dbraw/zinc/88/57/12/340885712.db2.gz INDMXWDOSFZIQR-OAHLLOKOSA-N 1 2 315.323 4.213 10 0 DIAELO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246834023 341357556 /nfs/dbraw/zinc/35/75/56/341357556.db2.gz UXXCJLQWWJLNQH-JHJVBQTASA-N 1 2 320.820 4.165 10 0 DIAELO Cc1nocc1C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000339186535 341820516 /nfs/dbraw/zinc/82/05/16/341820516.db2.gz VUBZONFYWCDXPD-MRVPVSSYSA-N 1 2 303.164 4.280 10 0 DIAELO CCC(=O)Nc1ccc(Cl)c(NCc2[nH+]ccn2C(C)C)c1 ZINC000124456738 521205545 /nfs/dbraw/zinc/20/55/45/521205545.db2.gz SMXKWFBJMJGOHI-UHFFFAOYSA-N 1 2 320.824 4.078 10 0 DIAELO Cc1ccc([C@H](C)[NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)o1 ZINC000182573391 525930772 /nfs/dbraw/zinc/93/07/72/525930772.db2.gz SSXOMZUPHSTINR-JTQLQIEISA-N 1 2 324.211 4.393 10 0 DIAELO Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000162258107 525993470 /nfs/dbraw/zinc/99/34/70/525993470.db2.gz WQCUGVLRWGVENM-MRXNPFEDSA-N 1 2 313.401 4.359 10 0 DIAELO c1nc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cs1 ZINC000131319572 526599067 /nfs/dbraw/zinc/59/90/67/526599067.db2.gz NTGAMBXDAFPZCT-OAHLLOKOSA-N 1 2 300.427 4.069 10 0 DIAELO